4-benzyl-1-[(2-bromophenyl)methyl]piperidine

C19H22BrN — CID 791158

IUPAC4-benzyl-1-[(2-bromophenyl)methyl]piperidine
SMILESBrc1ccccc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22BrN/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyQGNJGCSZPBNCIE-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.90
Rot. Bonds4

About 4-benzyl-1-[(2-bromophenyl)methyl]piperidine

4-benzyl-1-[(2-bromophenyl)methyl]piperidine (PubChem CID 791158) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 4-benzyl-1-[(2-bromophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(2-bromophenyl)methyl]piperidine
PubChem CID791158
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name4-benzyl-1-[(2-bromophenyl)methyl]piperidine
SMILESBrc1ccccc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22BrN/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyQGNJGCSZPBNCIE-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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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2-bromophenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(2-bromophenyl)methyl]piperidine (CID 791158) is 4-benzyl-1-[(2-bromophenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(2-bromophenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(2-bromophenyl)methyl]piperidine is Brc1ccccc1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(2-bromophenyl)methyl]piperidine?
The InChIKey is QGNJGCSZPBNCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 4-benzyl-1-[(2-bromophenyl)methyl]piperidine?
4-benzyl-1-[(2-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 4-benzyl-1-[(2-bromophenyl)methyl]piperidine is sourced from PubChem (CID 791158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).