4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine

C20H22ClN — CID 46890907

IUPAC4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine
SMILESClc1cccc(-c2ccccc2/C=C/CC2CCNCC2)c1
InChIInChI=1S/C20H22ClN/c21-19-9-4-8-18(15-19)20-10-2-1-6-17(20)7-3-5-16-11-13-22-14-12-16/h1-4,6-10,15-16,22H,5,11-14H2/b7-3+
InChIKeySGNIBEHDIDGYPB-XVNBXDOJSA-N
MW311.86 g/mol
LogP5.41
Rot. Bonds4

About 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine

4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine (PubChem CID 46890907) has the molecular formula C20H22ClN and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine.

Molecular Properties

Compound Name4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine
PubChem CID46890907
Molecular FormulaC20H22ClN
Molecular Weight311.86 g/mol
Exact Mass311.14
IUPAC Name4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine
SMILESClc1cccc(-c2ccccc2/C=C/CC2CCNCC2)c1
InChIInChI=1S/C20H22ClN/c21-19-9-4-8-18(15-19)20-10-2-1-6-17(20)7-3-5-16-11-13-22-14-12-16/h1-4,6-10,15-16,22H,5,11-14H2/b7-3+
InChIKeySGNIBEHDIDGYPB-XVNBXDOJSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.86
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine?
The IUPAC name of 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine (CID 46890907) is 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine.
What is the SMILES notation for 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine?
The canonical SMILES for 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine is Clc1cccc(-c2ccccc2/C=C/CC2CCNCC2)c1.
What is the InChIKey of 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine?
The InChIKey is SGNIBEHDIDGYPB-XVNBXDOJSA-N. The full InChI is InChI=1S/C20H22ClN/c21-19-9-4-8-18(15-19)20-10-2-1-6-17(20)7-3-5-16-11-13-22-14-12-16/h1-4,6-10,15-16,22H,5,11-14H2/b7-3+.
What are the key properties of 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine?
4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine has a molecular weight of 311.86 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[2-(3-chlorophenyl)phenyl]prop-2-enyl]piperidine is sourced from PubChem (CID 46890907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).