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

C27H29Cl2NO — CID 11525302

IUPAC4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H29Cl2NO/c28-24-12-8-22(9-13-24)26(21-5-2-1-3-6-21)7-4-18-30-19-16-27(31,17-20-30)23-10-14-25(29)15-11-23/h1-3,5-6,8-15,26,31H,4,7,16-20H2
InChIKeyNSPOZVUXYQBLBO-UHFFFAOYSA-N
MW454.44 g/mol
LogP6.89
Rot. Bonds7

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

4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol (PubChem CID 11525302) has the molecular formula C27H29Cl2NO and a molecular weight of 454.44 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol
PubChem CID11525302
Molecular FormulaC27H29Cl2NO
Molecular Weight454.44 g/mol
Exact Mass453.16
IUPAC Name4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H29Cl2NO/c28-24-12-8-22(9-13-24)26(21-5-2-1-3-6-21)7-4-18-30-19-16-27(31,17-20-30)23-10-14-25(29)15-11-23/h1-3,5-6,8-15,26,31H,4,7,16-20H2
InChIKeyNSPOZVUXYQBLBO-UHFFFAOYSA-N
XLogP6.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.44
LogP ≤ 56.89
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-chlorophenyl)-4-phenylbutyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol (CID 11525302) is 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol?
The InChIKey is NSPOZVUXYQBLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2NO/c28-24-12-8-22(9-13-24)26(21-5-2-1-3-6-21)7-4-18-30-19-16-27(31,17-20-30)23-10-14-25(29)15-11-23/h1-3,5-6,8-15,26,31H,4,7,16-20H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-phenylbutyl]piperidin-4-ol has a molecular weight of 454.44 g/mol, XLogP of 6.89, 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-chlorophenyl)-4-phenylbutyl]piperidin-4-ol is sourced from PubChem (CID 11525302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).