3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine

C12H22BrN — CID 130804417

IUPAC3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine
SMILESCC1CC(CBr)CN(C2CCCC2)C1
InChIInChI=1S/C12H22BrN/c1-10-6-11(7-13)9-14(8-10)12-4-2-3-5-12/h10-12H,2-9H2,1H3
InChIKeyGOACVQIXDYJXCH-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.28
Rot. Bonds2

About 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine

3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine (PubChem CID 130804417) has the molecular formula C12H22BrN and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine
PubChem CID130804417
Molecular FormulaC12H22BrN
Molecular Weight260.22 g/mol
Exact Mass259.09
IUPAC Name3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine
SMILESCC1CC(CBr)CN(C2CCCC2)C1
InChIInChI=1S/C12H22BrN/c1-10-6-11(7-13)9-14(8-10)12-4-2-3-5-12/h10-12H,2-9H2,1H3
InChIKeyGOACVQIXDYJXCH-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine?
The IUPAC name of 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine (CID 130804417) is 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine.
What is the SMILES notation for 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine?
The canonical SMILES for 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine is CC1CC(CBr)CN(C2CCCC2)C1.
What is the InChIKey of 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine?
The InChIKey is GOACVQIXDYJXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN/c1-10-6-11(7-13)9-14(8-10)12-4-2-3-5-12/h10-12H,2-9H2,1H3.
What are the key properties of 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine?
3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine has a molecular weight of 260.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine is sourced from PubChem (CID 130804417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).