4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol

C33H33Cl2NO — CID 11656660

IUPAC4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccc(Cl)cc2)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C33H33Cl2NO/c34-30-16-12-28(13-17-30)32(27-10-8-26(9-11-27)25-5-2-1-3-6-25)7-4-22-36-23-20-33(37,21-24-36)29-14-18-31(35)19-15-29/h1-3,5-6,8-19,32,37H,4,7,20-24H2
InChIKeyROKXROUURNDTKR-UHFFFAOYSA-N
MW530.54 g/mol
LogP8.56
Rot. Bonds8

About 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol (PubChem CID 11656660) has the molecular formula C33H33Cl2NO and a molecular weight of 530.54 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol
PubChem CID11656660
Molecular FormulaC33H33Cl2NO
Molecular Weight530.54 g/mol
Exact Mass529.19
IUPAC Name4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccc(Cl)cc2)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C33H33Cl2NO/c34-30-16-12-28(13-17-30)32(27-10-8-26(9-11-27)25-5-2-1-3-6-25)7-4-22-36-23-20-33(37,21-24-36)29-14-18-31(35)19-15-29/h1-3,5-6,8-19,32,37H,4,7,20-24H2
InChIKeyROKXROUURNDTKR-UHFFFAOYSA-N
XLogP8.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.54
LogP ≤ 58.56
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-(4-phenylphenyl)butyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol (CID 11656660) is 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccc(Cl)cc2)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol?
The InChIKey is ROKXROUURNDTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33Cl2NO/c34-30-16-12-28(13-17-30)32(27-10-8-26(9-11-27)25-5-2-1-3-6-25)7-4-22-36-23-20-33(37,21-24-36)29-14-18-31(35)19-15-29/h1-3,5-6,8-19,32,37H,4,7,20-24H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol has a molecular weight of 530.54 g/mol, XLogP of 8.56, 8 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-(4-phenylphenyl)butyl]piperidin-4-ol is sourced from PubChem (CID 11656660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).