4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol

C27H30ClNO — CID 10526132

IUPAC4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30ClNO/c28-25-15-13-24(14-16-25)27(30)17-20-29(21-18-27)19-7-12-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,26,30H,7,12,17-21H2
InChIKeyLLQCATMGHGFZSS-UHFFFAOYSA-N
MW420.00 g/mol
LogP6.24
Rot. Bonds7

About 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol

4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol (PubChem CID 10526132) has the molecular formula C27H30ClNO and a molecular weight of 420.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol
PubChem CID10526132
Molecular FormulaC27H30ClNO
Molecular Weight420.00 g/mol
Exact Mass419.20
IUPAC Name4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30ClNO/c28-25-15-13-24(14-16-25)27(30)17-20-29(21-18-27)19-7-12-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,26,30H,7,12,17-21H2
InChIKeyLLQCATMGHGFZSS-UHFFFAOYSA-N
XLogP6.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.00
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol (CID 10526132) is 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol?
The InChIKey is LLQCATMGHGFZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClNO/c28-25-15-13-24(14-16-25)27(30)17-20-29(21-18-27)19-7-12-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,26,30H,7,12,17-21H2.
What are the key properties of 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol has a molecular weight of 420.00 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol is sourced from PubChem (CID 10526132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).