[1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride

C24H30ClNO2 — CID 46196785

IUPAC[1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)C1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C24H29NO2.ClH/c26-22-14-8-7-13-21(22)25-17-15-24(16-18-25,20-11-5-2-6-12-20)23(27)19-9-3-1-4-10-19;/h1-6,9-12,21-22,26H,7-8,13-18H2;1H/t21-,22-;/m1./s1
InChIKeyIUDIOUAOBWWKLA-HLUKFBSCSA-N
MW399.96 g/mol
LogP4.63
Rot. Bonds4

About [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride

[1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride (PubChem CID 46196785) has the molecular formula C24H30ClNO2 and a molecular weight of 399.96 g/mol. Its IUPAC name is [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride
PubChem CID46196785
Molecular FormulaC24H30ClNO2
Molecular Weight399.96 g/mol
Exact Mass399.20
IUPAC Name[1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)C1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C24H29NO2.ClH/c26-22-14-8-7-13-21(22)25-17-15-24(16-18-25,20-11-5-2-6-12-20)23(27)19-9-3-1-4-10-19;/h1-6,9-12,21-22,26H,7-8,13-18H2;1H/t21-,22-;/m1./s1
InChIKeyIUDIOUAOBWWKLA-HLUKFBSCSA-N
XLogP4.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.96
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride (CID 46196785) is [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride is Cl.O=C(c1ccccc1)C1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride?
The InChIKey is IUDIOUAOBWWKLA-HLUKFBSCSA-N. The full InChI is InChI=1S/C24H29NO2.ClH/c26-22-14-8-7-13-21(22)25-17-15-24(16-18-25,20-11-5-2-6-12-20)23(27)19-9-3-1-4-10-19;/h1-6,9-12,21-22,26H,7-8,13-18H2;1H/t21-,22-;/m1./s1.
What are the key properties of [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride?
[1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride has a molecular weight of 399.96 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 46196785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).