1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol

C20H30ClNO — CID 11682235

IUPAC1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C20H30ClNO/c21-19-11-9-18(10-12-19)20(23,17-7-3-1-4-8-17)13-16-22-14-5-2-6-15-22/h9-12,17,23H,1-8,13-16H2
InChIKeyKJIKOBVGKFCECQ-UHFFFAOYSA-N
MW335.92 g/mol
LogP4.98
Rot. Bonds5

About 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol

1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 11682235) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol
PubChem CID11682235
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C20H30ClNO/c21-19-11-9-18(10-12-19)20(23,17-7-3-1-4-8-17)13-16-22-14-5-2-6-15-22/h9-12,17,23H,1-8,13-16H2
InChIKeyKJIKOBVGKFCECQ-UHFFFAOYSA-N
XLogP4.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol (CID 11682235) is 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol is OC(CCN1CCCCC1)(c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is KJIKOBVGKFCECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO/c21-19-11-9-18(10-12-19)20(23,17-7-3-1-4-8-17)13-16-22-14-5-2-6-15-22/h9-12,17,23H,1-8,13-16H2.
What are the key properties of 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol?
1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 335.92 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 11682235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).