4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol

C21H26ClNO2 — CID 11588534

IUPAC4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol
SMILESOC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H26ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,20,24-25H,4,7,12-16H2
InChIKeyQOXZWRNEYHCQOU-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.14
Rot. Bonds6

About 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol

4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol (PubChem CID 11588534) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol
PubChem CID11588534
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol
SMILESOC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H26ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,20,24-25H,4,7,12-16H2
InChIKeyQOXZWRNEYHCQOU-UHFFFAOYSA-N
XLogP4.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.14
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-(4-hydroxy-4-phenylbutyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol (CID 11588534) is 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol is OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol?
The InChIKey is QOXZWRNEYHCQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,20,24-25H,4,7,12-16H2.
What are the key properties of 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol has a molecular weight of 359.90 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol is sourced from PubChem (CID 11588534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).