5-bromo-1-cyclopentyl-2-methylpiperidine

C11H20BrN — CID 131123580

IUPAC5-bromo-1-cyclopentyl-2-methylpiperidine
SMILESCC1CCC(Br)CN1C1CCCC1
InChIInChI=1S/C11H20BrN/c1-9-6-7-10(12)8-13(9)11-4-2-3-5-11/h9-11H,2-8H2,1H3
InChIKeyHJXFOSVNSFQNGE-UHFFFAOYSA-N
MW246.19 g/mol
LogP3.18
Rot. Bonds1

About 5-bromo-1-cyclopentyl-2-methylpiperidine

5-bromo-1-cyclopentyl-2-methylpiperidine (PubChem CID 131123580) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 5-bromo-1-cyclopentyl-2-methylpiperidine.

Molecular Properties

Compound Name5-bromo-1-cyclopentyl-2-methylpiperidine
PubChem CID131123580
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name5-bromo-1-cyclopentyl-2-methylpiperidine
SMILESCC1CCC(Br)CN1C1CCCC1
InChIInChI=1S/C11H20BrN/c1-9-6-7-10(12)8-13(9)11-4-2-3-5-11/h9-11H,2-8H2,1H3
InChIKeyHJXFOSVNSFQNGE-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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 5-bromo-1-cyclopentyl-2-methylpiperidine?
The IUPAC name of 5-bromo-1-cyclopentyl-2-methylpiperidine (CID 131123580) is 5-bromo-1-cyclopentyl-2-methylpiperidine.
What is the SMILES notation for 5-bromo-1-cyclopentyl-2-methylpiperidine?
The canonical SMILES for 5-bromo-1-cyclopentyl-2-methylpiperidine is CC1CCC(Br)CN1C1CCCC1.
What is the InChIKey of 5-bromo-1-cyclopentyl-2-methylpiperidine?
The InChIKey is HJXFOSVNSFQNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c1-9-6-7-10(12)8-13(9)11-4-2-3-5-11/h9-11H,2-8H2,1H3.
What are the key properties of 5-bromo-1-cyclopentyl-2-methylpiperidine?
5-bromo-1-cyclopentyl-2-methylpiperidine has a molecular weight of 246.19 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopentyl-2-methylpiperidine is sourced from PubChem (CID 131123580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).