4-benzyl-1-[4-(bromomethyl)phenyl]piperidine

C19H22BrN — CID 107079799

IUPAC4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
SMILESBrCc1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22BrN/c20-15-18-6-8-19(9-7-18)21-12-10-17(11-13-21)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2
InChIKeyDCHHSSJUXLVBKK-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.04
Rot. Bonds4

About 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine

4-benzyl-1-[4-(bromomethyl)phenyl]piperidine (PubChem CID 107079799) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
PubChem CID107079799
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
SMILESBrCc1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22BrN/c20-15-18-6-8-19(9-7-18)21-12-10-17(11-13-21)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2
InChIKeyDCHHSSJUXLVBKK-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 83971754
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine
CID 110452589
4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 112985417
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine?
The IUPAC name of 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine (CID 107079799) is 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine?
The canonical SMILES for 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine is BrCc1ccc(N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine?
The InChIKey is DCHHSSJUXLVBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c20-15-18-6-8-19(9-7-18)21-12-10-17(11-13-21)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2.
What are the key properties of 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine?
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine has a molecular weight of 344.30 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[4-(bromomethyl)phenyl]piperidine is sourced from PubChem (CID 107079799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).