[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone

C32H29Cl2NO — CID 10128471

IUPAC[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone
SMILESCCC1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C32H29Cl2NO/c1-2-32(26-6-4-3-5-7-26)18-20-35(21-19-32)31(36)25-12-17-29(23-8-13-27(33)14-9-23)30(22-25)24-10-15-28(34)16-11-24/h3-17,22H,2,18-21H2,1H3
InChIKeyVLOZTALFTJUQJF-UHFFFAOYSA-N
MW514.50 g/mol
LogP8.91
Rot. Bonds5

About [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone

[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone (PubChem CID 10128471) has the molecular formula C32H29Cl2NO and a molecular weight of 514.50 g/mol. Its IUPAC name is [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone
PubChem CID10128471
Molecular FormulaC32H29Cl2NO
Molecular Weight514.50 g/mol
Exact Mass513.16
IUPAC Name[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone
SMILESCCC1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C32H29Cl2NO/c1-2-32(26-6-4-3-5-7-26)18-20-35(21-19-32)31(36)25-12-17-29(23-8-13-27(33)14-9-23)30(22-25)24-10-15-28(34)16-11-24/h3-17,22H,2,18-21H2,1H3
InChIKeyVLOZTALFTJUQJF-UHFFFAOYSA-N
XLogP8.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.50
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone (CID 10128471) is [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone is CCC1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is VLOZTALFTJUQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl2NO/c1-2-32(26-6-4-3-5-7-26)18-20-35(21-19-32)31(36)25-12-17-29(23-8-13-27(33)14-9-23)30(22-25)24-10-15-28(34)16-11-24/h3-17,22H,2,18-21H2,1H3.
What are the key properties of [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone?
[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 514.50 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 10128471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).