4-bromo-1-[(4-chlorophenyl)methyl]piperidine

C12H15BrClN — CID 80679127

IUPAC4-bromo-1-[(4-chlorophenyl)methyl]piperidine
SMILESClc1ccc(CN2CCC(Br)CC2)cc1
InChIInChI=1S/C12H15BrClN/c13-11-5-7-15(8-6-11)9-10-1-3-12(14)4-2-10/h1-4,11H,5-9H2
InChIKeyPZXWIXWNWKBWQX-UHFFFAOYSA-N
MW288.62 g/mol
LogP3.70
Rot. Bonds2

About 4-bromo-1-[(4-chlorophenyl)methyl]piperidine

4-bromo-1-[(4-chlorophenyl)methyl]piperidine (PubChem CID 80679127) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 4-bromo-1-[(4-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-bromo-1-[(4-chlorophenyl)methyl]piperidine
PubChem CID80679127
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name4-bromo-1-[(4-chlorophenyl)methyl]piperidine
SMILESClc1ccc(CN2CCC(Br)CC2)cc1
InChIInChI=1S/C12H15BrClN/c13-11-5-7-15(8-6-11)9-10-1-3-12(14)4-2-10/h1-4,11H,5-9H2
InChIKeyPZXWIXWNWKBWQX-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
3-bromo-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80676631
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
4-bromo-1-[(3,5-dimethylphenyl)methyl]piperidine
CID 80679343
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
3-(2-chloroethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 114800668

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-chlorophenyl)methyl]piperidine?
The IUPAC name of 4-bromo-1-[(4-chlorophenyl)methyl]piperidine (CID 80679127) is 4-bromo-1-[(4-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 4-bromo-1-[(4-chlorophenyl)methyl]piperidine?
The canonical SMILES for 4-bromo-1-[(4-chlorophenyl)methyl]piperidine is Clc1ccc(CN2CCC(Br)CC2)cc1.
What is the InChIKey of 4-bromo-1-[(4-chlorophenyl)methyl]piperidine?
The InChIKey is PZXWIXWNWKBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c13-11-5-7-15(8-6-11)9-10-1-3-12(14)4-2-10/h1-4,11H,5-9H2.
What are the key properties of 4-bromo-1-[(4-chlorophenyl)methyl]piperidine?
4-bromo-1-[(4-chlorophenyl)methyl]piperidine has a molecular weight of 288.62 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 80679127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).