4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol

C28H32ClNO — CID 11648468

IUPAC4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol
SMILESCc1ccc(C(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H32ClNO/c1-22-9-11-24(12-10-22)27(23-6-3-2-4-7-23)8-5-19-30-20-17-28(31,18-21-30)25-13-15-26(29)16-14-25/h2-4,6-7,9-16,27,31H,5,8,17-21H2,1H3
InChIKeyXQNMWCOBHLDKFW-UHFFFAOYSA-N
MW434.02 g/mol
LogP6.54
Rot. Bonds7

About 4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol (PubChem CID 11648468) has the molecular formula C28H32ClNO and a molecular weight of 434.02 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol
PubChem CID11648468
Molecular FormulaC28H32ClNO
Molecular Weight434.02 g/mol
Exact Mass433.22
IUPAC Name4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol
SMILESCc1ccc(C(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H32ClNO/c1-22-9-11-24(12-10-22)27(23-6-3-2-4-7-23)8-5-19-30-20-17-28(31,18-21-30)25-13-15-26(29)16-14-25/h2-4,6-7,9-16,27,31H,5,8,17-21H2,1H3
InChIKeyXQNMWCOBHLDKFW-UHFFFAOYSA-N
XLogP6.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.02
LogP ≤ 56.54
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-methylphenyl)-4-phenylbutyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol (CID 11648468) is 4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol is Cc1ccc(C(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol?
The InChIKey is XQNMWCOBHLDKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClNO/c1-22-9-11-24(12-10-22)27(23-6-3-2-4-7-23)8-5-19-30-20-17-28(31,18-21-30)25-13-15-26(29)16-14-25/h2-4,6-7,9-16,27,31H,5,8,17-21H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol has a molecular weight of 434.02 g/mol, XLogP of 6.54, 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-methylphenyl)-4-phenylbutyl]piperidin-4-ol is sourced from PubChem (CID 11648468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).