1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide

C13H19Br2N — CID 163358516

IUPAC1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
SMILESBr.BrCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H18BrN.BrH/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2;1H
InChIKeySEGGNKVOUCWDMQ-UHFFFAOYSA-N
MW349.11 g/mol
LogP4.15
Rot. Bonds3

About 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide

1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide (PubChem CID 163358516) has the molecular formula C13H19Br2N and a molecular weight of 349.11 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide.

Molecular Properties

Compound Name1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
PubChem CID163358516
Molecular FormulaC13H19Br2N
Molecular Weight349.11 g/mol
Exact Mass346.99
IUPAC Name1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
SMILESBr.BrCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H18BrN.BrH/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2;1H
InChIKeySEGGNKVOUCWDMQ-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 54.15
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

ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-benzylazepane
CID 10954328
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[[4-(2-chloroethyl)phenyl]methyl]pyrrolidine
CID 69499407
1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine
CID 25267143
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
1-[[4-(chloromethyl)phenyl]methyl]azetidine
CID 134561394

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide?
The IUPAC name of 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide (CID 163358516) is 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide.
What is the SMILES notation for 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide?
The canonical SMILES for 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide is Br.BrCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide?
The InChIKey is SEGGNKVOUCWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN.BrH/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2;1H.
What are the key properties of 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide?
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide has a molecular weight of 349.11 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide is sourced from PubChem (CID 163358516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).