2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol

C17H24ClNO — CID 15925764

IUPAC2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12H2
InChIKeyZXCRMZVVQZLJGE-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.82
Rot. Bonds2

About 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol

2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 15925764) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID15925764
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12H2
InChIKeyZXCRMZVVQZLJGE-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol (CID 15925764) is 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is ZXCRMZVVQZLJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol?
2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 293.84 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).