4-benzyl-1-[(3-chlorophenyl)methyl]piperidine

C19H22ClN — CID 785748

IUPAC4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
SMILESClc1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H22ClN/c20-19-8-4-7-18(14-19)15-21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
InChIKeyJQXCIIWXBQIVOS-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.79
Rot. Bonds4

About 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine

4-benzyl-1-[(3-chlorophenyl)methyl]piperidine (PubChem CID 785748) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
PubChem CID785748
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
SMILESClc1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H22ClN/c20-19-8-4-7-18(14-19)15-21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
InChIKeyJQXCIIWXBQIVOS-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropanoic acid
CID 83983457
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
4-benzyl-1-[(5-chloro-2-nitrophenyl)methyl]piperidine
CID 753940
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine (CID 785748) is 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine is Clc1cccc(CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine?
The InChIKey is JQXCIIWXBQIVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c20-19-8-4-7-18(14-19)15-21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2.
What are the key properties of 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine?
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine has a molecular weight of 299.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(3-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 785748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).