1-benzhydryl-4-cyclohexylpiperidin-4-ol

C24H31NO — CID 10043439

IUPAC1-benzhydryl-4-cyclohexylpiperidin-4-ol
SMILESOC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23,26H,3,8-9,14-19H2
InChIKeyRJWCOGYISGJIPN-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.18
Rot. Bonds4

About 1-benzhydryl-4-cyclohexylpiperidin-4-ol

1-benzhydryl-4-cyclohexylpiperidin-4-ol (PubChem CID 10043439) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-benzhydryl-4-cyclohexylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzhydryl-4-cyclohexylpiperidin-4-ol
PubChem CID10043439
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name1-benzhydryl-4-cyclohexylpiperidin-4-ol
SMILESOC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23,26H,3,8-9,14-19H2
InChIKeyRJWCOGYISGJIPN-UHFFFAOYSA-N
XLogP5.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-cyclohexylpiperidin-4-ol?
The IUPAC name of 1-benzhydryl-4-cyclohexylpiperidin-4-ol (CID 10043439) is 1-benzhydryl-4-cyclohexylpiperidin-4-ol.
What is the SMILES notation for 1-benzhydryl-4-cyclohexylpiperidin-4-ol?
The canonical SMILES for 1-benzhydryl-4-cyclohexylpiperidin-4-ol is OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-cyclohexylpiperidin-4-ol?
The InChIKey is RJWCOGYISGJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23,26H,3,8-9,14-19H2.
What are the key properties of 1-benzhydryl-4-cyclohexylpiperidin-4-ol?
1-benzhydryl-4-cyclohexylpiperidin-4-ol has a molecular weight of 349.52 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-cyclohexylpiperidin-4-ol is sourced from PubChem (CID 10043439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).