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

C18H26ClNO2 — CID 46197122

IUPAC[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C18H25NO2.ClH/c20-17-9-5-4-8-16(17)19-12-10-15(11-13-19)18(21)14-6-2-1-3-7-14;/h1-3,6-7,15-17,20H,4-5,8-13H2;1H/t16-,17-;/m1./s1
InChIKeyFQFVRIJFPPCLRT-GBNZRNLASA-N
MW323.86 g/mol
LogP3.31
Rot. Bonds3

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

[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride (PubChem CID 46197122) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is [1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride
PubChem CID46197122
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C18H25NO2.ClH/c20-17-9-5-4-8-16(17)19-12-10-15(11-13-19)18(21)14-6-2-1-3-7-14;/h1-3,6-7,15-17,20H,4-5,8-13H2;1H/t16-,17-;/m1./s1
InChIKeyFQFVRIJFPPCLRT-GBNZRNLASA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.31
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]piperidin-4-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride (CID 46197122) is [1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride is Cl.O=C(c1ccccc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of [1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
The InChIKey is FQFVRIJFPPCLRT-GBNZRNLASA-N. The full InChI is InChI=1S/C18H25NO2.ClH/c20-17-9-5-4-8-16(17)19-12-10-15(11-13-19)18(21)14-6-2-1-3-7-14;/h1-3,6-7,15-17,20H,4-5,8-13H2;1H/t16-,17-;/m1./s1.
What are the key properties of [1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 3.31, 3 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]piperidin-4-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 46197122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).