4-[(2-chlorophenyl)-phenylmethyl]piperidine

C18H20ClN — CID 54233585

IUPAC4-[(2-chlorophenyl)-phenylmethyl]piperidine
SMILESClc1ccccc1C(c1ccccc1)C1CCNCC1
InChIInChI=1S/C18H20ClN/c19-17-9-5-4-8-16(17)18(14-6-2-1-3-7-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2
InChIKeyWLFYQIPKVQVHPS-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.47
Rot. Bonds3

About 4-[(2-chlorophenyl)-phenylmethyl]piperidine

4-[(2-chlorophenyl)-phenylmethyl]piperidine (PubChem CID 54233585) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-phenylmethyl]piperidine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-phenylmethyl]piperidine
PubChem CID54233585
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name4-[(2-chlorophenyl)-phenylmethyl]piperidine
SMILESClc1ccccc1C(c1ccccc1)C1CCNCC1
InChIInChI=1S/C18H20ClN/c19-17-9-5-4-8-16(17)18(14-6-2-1-3-7-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2
InChIKeyWLFYQIPKVQVHPS-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-phenylmethyl]piperidine?
The IUPAC name of 4-[(2-chlorophenyl)-phenylmethyl]piperidine (CID 54233585) is 4-[(2-chlorophenyl)-phenylmethyl]piperidine.
What is the SMILES notation for 4-[(2-chlorophenyl)-phenylmethyl]piperidine?
The canonical SMILES for 4-[(2-chlorophenyl)-phenylmethyl]piperidine is Clc1ccccc1C(c1ccccc1)C1CCNCC1.
What is the InChIKey of 4-[(2-chlorophenyl)-phenylmethyl]piperidine?
The InChIKey is WLFYQIPKVQVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c19-17-9-5-4-8-16(17)18(14-6-2-1-3-7-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2.
What are the key properties of 4-[(2-chlorophenyl)-phenylmethyl]piperidine?
4-[(2-chlorophenyl)-phenylmethyl]piperidine has a molecular weight of 285.82 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-phenylmethyl]piperidine is sourced from PubChem (CID 54233585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).