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

C19H22BrN — CID 135053627

IUPAC1-benzyl-3-[(4-bromophenyl)methyl]piperidine
SMILESBrc1ccc(CC2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H22BrN/c20-19-10-8-16(9-11-19)13-18-7-4-12-21(15-18)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-15H2
InChIKeyCWRRVSWQKMRZOO-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.90
Rot. Bonds4

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

1-benzyl-3-[(4-bromophenyl)methyl]piperidine (PubChem CID 135053627) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-benzyl-3-[(4-bromophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-benzyl-3-[(4-bromophenyl)methyl]piperidine
PubChem CID135053627
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name1-benzyl-3-[(4-bromophenyl)methyl]piperidine
SMILESBrc1ccc(CC2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H22BrN/c20-19-10-8-16(9-11-19)13-18-7-4-12-21(15-18)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-15H2
InChIKeyCWRRVSWQKMRZOO-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
1-Benzyl-4-[(4-bromophenyl)carbonothioyl]piperazine
CID 2185493
(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
CID 10356389
Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
1,4-Dibenzylpiperidine
CID 10934382
4-Bromo-N,N-dimethylbenzylamine
CID 235757
1-(4-Bromobenzyl)pyrrolidine
CID 12738004
1-[(2-Bromophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 1529368
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
4-Benzyl-1-[(3-fluorophenyl)methyl]piperidine
CID 792536
4-Benzyl-1-(2-fluorobenzyl)piperidine
CID 1377046
(4-Bromobenzyl)[2-(diethylamino)ethyl]methylamine
CID 784059

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]piperidine?
The IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]piperidine (CID 135053627) is 1-benzyl-3-[(4-bromophenyl)methyl]piperidine.
What is the SMILES notation for 1-benzyl-3-[(4-bromophenyl)methyl]piperidine?
The canonical SMILES for 1-benzyl-3-[(4-bromophenyl)methyl]piperidine is Brc1ccc(CC2CCCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-3-[(4-bromophenyl)methyl]piperidine?
The InChIKey is CWRRVSWQKMRZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c20-19-10-8-16(9-11-19)13-18-7-4-12-21(15-18)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-15H2.
What are the key properties of 1-benzyl-3-[(4-bromophenyl)methyl]piperidine?
1-benzyl-3-[(4-bromophenyl)methyl]piperidine has a molecular weight of 344.30 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-bromophenyl)methyl]piperidine is sourced from PubChem (CID 135053627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).