Drug Name |
Ro 63-1908
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Synonyms |
UNII-Q85IYK36S4; CHEMBL317229; Q85IYK36S4; 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidinol; 1-(2-(4-Hydroxyphenoxy)ethyl)-4-((4-methylphenyl)methyl)-4-piperidinol; AC1OCFEC; NCGC00161413-01; SCHEMBL499394; ZINC7382; CHEBI:92975; BDBM50079385; RO-0631908; BRD-K55677650-003-01-1; 1-(2-(4-hydroxyphenoxy)ethyl)-4-(4-methylbenzyl)piperidin-4-ol; 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol; 4-Piperidinol, 1-(2-(4-hydroxyphenoxy)ethyl)-4-((4-methylp
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Drug Type |
Small molecular drug
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Structure |
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3D MOL is unavailable
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight |
377.9 |
Logarithm of the Partition Coefficient |
Not Available |
Rotatable Bond Count |
6 |
Hydrogen Bond Donor Count |
3 |
Hydrogen Bond Acceptor Count |
4 |
Chemical Identifiers |
- Formula
- C21H28ClNO3
- IUPAC Name
1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
- Canonical SMILES
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CC1=CC=C(C=C1)CC2(CCN(CC2)CCOC3=CC=C(C=C3)O)O.Cl
- InChI
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InChI=1S/C21H27NO3.ClH/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20;/h2-9,23-24H,10-16H2,1H3;1H
- InChIKey
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WFFZHKKSIDENAJ-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 6918426
- TTD ID
- D06QJM
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