3-(2-bromoethyl)-1-(2-methylbutyl)piperidine

C12H24BrN — CID 80691877

IUPAC3-(2-bromoethyl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCCC(CCBr)C1
InChIInChI=1S/C12H24BrN/c1-3-11(2)9-14-8-4-5-12(10-14)6-7-13/h11-12H,3-10H2,1-2H3
InChIKeyVWXJOCQGCASFBK-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.53
Rot. Bonds5

About 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine

3-(2-bromoethyl)-1-(2-methylbutyl)piperidine (PubChem CID 80691877) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine.

Molecular Properties

Compound Name3-(2-bromoethyl)-1-(2-methylbutyl)piperidine
PubChem CID80691877
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC Name3-(2-bromoethyl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCCC(CCBr)C1
InChIInChI=1S/C12H24BrN/c1-3-11(2)9-14-8-4-5-12(10-14)6-7-13/h11-12H,3-10H2,1-2H3
InChIKeyVWXJOCQGCASFBK-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
CID 11789881
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
1-(2-methylbutyl)azocan-5-amine
CID 138578354
2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
CID 107913841
1-(2-bromoethyl)-4-(2-methylbutyl)-1,4-diazepane
CID 80667299
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
CID 83982939
3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine
CID 114800298
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine?
The IUPAC name of 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine (CID 80691877) is 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine.
What is the SMILES notation for 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine?
The canonical SMILES for 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine is CCC(C)CN1CCCC(CCBr)C1.
What is the InChIKey of 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine?
The InChIKey is VWXJOCQGCASFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-3-11(2)9-14-8-4-5-12(10-14)6-7-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine?
3-(2-bromoethyl)-1-(2-methylbutyl)piperidine has a molecular weight of 262.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1-(2-methylbutyl)piperidine is sourced from PubChem (CID 80691877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).