4-bromo-1-cyclopentyl-3-methylpiperidine

C11H20BrN — CID 114682512

IUPAC4-bromo-1-cyclopentyl-3-methylpiperidine
SMILESCC1CN(C2CCCC2)CCC1Br
InChIInChI=1S/C11H20BrN/c1-9-8-13(7-6-11(9)12)10-4-2-3-5-10/h9-11H,2-8H2,1H3
InChIKeyUICMSOJBAFQJJS-UHFFFAOYSA-N
MW246.19 g/mol
LogP3.03
Rot. Bonds1

About 4-bromo-1-cyclopentyl-3-methylpiperidine

4-bromo-1-cyclopentyl-3-methylpiperidine (PubChem CID 114682512) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopentyl-3-methylpiperidine.

Molecular Properties

Compound Name4-bromo-1-cyclopentyl-3-methylpiperidine
PubChem CID114682512
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name4-bromo-1-cyclopentyl-3-methylpiperidine
SMILESCC1CN(C2CCCC2)CCC1Br
InChIInChI=1S/C11H20BrN/c1-9-8-13(7-6-11(9)12)10-4-2-3-5-10/h9-11H,2-8H2,1H3
InChIKeyUICMSOJBAFQJJS-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 53.03
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

1-cyclohexyl-3-methylpyrrolidine
CID 13402657
1-cyclobutyl-3-fluoro-4-methylpiperidine
CID 130674980
(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
CID 134195528
4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine
CID 114682450
3-bromo-1-cyclohexylpiperidine
CID 82937175
1-cyclohexyl-3-methyl-N-propylpiperidin-4-amine
CID 54975332
4-bromo-1-cyclohexylsulfonyl-3-methylpiperidine
CID 114683695
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
(3S)-1-cyclopentylpyrrolidin-3-ol
CID 58155463
1-cyclopentylpyrrolidine-3-thiol
CID 18792683
1-cyclooctyl-4-methylpyrrolidin-3-amine
CID 103575307

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopentyl-3-methylpiperidine?
The IUPAC name of 4-bromo-1-cyclopentyl-3-methylpiperidine (CID 114682512) is 4-bromo-1-cyclopentyl-3-methylpiperidine.
What is the SMILES notation for 4-bromo-1-cyclopentyl-3-methylpiperidine?
The canonical SMILES for 4-bromo-1-cyclopentyl-3-methylpiperidine is CC1CN(C2CCCC2)CCC1Br.
What is the InChIKey of 4-bromo-1-cyclopentyl-3-methylpiperidine?
The InChIKey is UICMSOJBAFQJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c1-9-8-13(7-6-11(9)12)10-4-2-3-5-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-bromo-1-cyclopentyl-3-methylpiperidine?
4-bromo-1-cyclopentyl-3-methylpiperidine has a molecular weight of 246.19 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopentyl-3-methylpiperidine is sourced from PubChem (CID 114682512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).