1-[(4-chlorophenyl)methyl]-4-phenylpiperidine

C18H20ClN — CID 3780175

IUPAC1-[(4-chlorophenyl)methyl]-4-phenylpiperidine
SMILESClc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20ClN/c19-18-8-6-15(7-9-18)14-20-12-10-17(11-13-20)16-4-2-1-3-5-16/h1-9,17H,10-14H2
InChIKeyDHOGBBPTQYJAQA-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.72
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine

1-[(4-chlorophenyl)methyl]-4-phenylpiperidine (PubChem CID 3780175) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-phenylpiperidine
PubChem CID3780175
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-[(4-chlorophenyl)methyl]-4-phenylpiperidine
SMILESClc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20ClN/c19-18-8-6-15(7-9-18)14-20-12-10-17(11-13-20)16-4-2-1-3-5-16/h1-9,17H,10-14H2
InChIKeyDHOGBBPTQYJAQA-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine (CID 3780175) is 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine is Clc1ccc(CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine?
The InChIKey is DHOGBBPTQYJAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c19-18-8-6-15(7-9-18)14-20-12-10-17(11-13-20)16-4-2-1-3-5-16/h1-9,17H,10-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine?
1-[(4-chlorophenyl)methyl]-4-phenylpiperidine has a molecular weight of 285.82 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-phenylpiperidine is sourced from PubChem (CID 3780175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).