4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol

C17H24ClNO2 — CID 15925786

IUPAC4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol
SMILESOC1CCCCC1N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO2/c18-14-7-5-13(6-8-14)17(21)9-11-19(12-10-17)15-3-1-2-4-16(15)20/h5-8,15-16,20-21H,1-4,9-12H2
InChIKeyNSSLJNISPRCIIP-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.93
Rot. Bonds2

About 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol

4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol (PubChem CID 15925786) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol
PubChem CID15925786
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol
SMILESOC1CCCCC1N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO2/c18-14-7-5-13(6-8-14)17(21)9-11-19(12-10-17)15-3-1-2-4-16(15)20/h5-8,15-16,20-21H,1-4,9-12H2
InChIKeyNSSLJNISPRCIIP-UHFFFAOYSA-N
XLogP2.93
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol (CID 15925786) is 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol is OC1CCCCC1N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol?
The InChIKey is NSSLJNISPRCIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c18-14-7-5-13(6-8-14)17(21)9-11-19(12-10-17)15-3-1-2-4-16(15)20/h5-8,15-16,20-21H,1-4,9-12H2.
What are the key properties of 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol has a molecular weight of 309.84 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2-hydroxycyclohexyl)piperidin-4-ol is sourced from PubChem (CID 15925786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).