3-bromo-1-cycloheptyl-2-methylpiperidine

C13H24BrN — CID 130934256

IUPAC3-bromo-1-cycloheptyl-2-methylpiperidine
SMILESCC1C(Br)CCCN1C1CCCCCC1
InChIInChI=1S/C13H24BrN/c1-11-13(14)9-6-10-15(11)12-7-4-2-3-5-8-12/h11-13H,2-10H2,1H3
InChIKeyVBGPLVXWEFAKFM-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.96
Rot. Bonds1

About 3-bromo-1-cycloheptyl-2-methylpiperidine

3-bromo-1-cycloheptyl-2-methylpiperidine (PubChem CID 130934256) has the molecular formula C13H24BrN and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-bromo-1-cycloheptyl-2-methylpiperidine.

Molecular Properties

Compound Name3-bromo-1-cycloheptyl-2-methylpiperidine
PubChem CID130934256
Molecular FormulaC13H24BrN
Molecular Weight274.25 g/mol
Exact Mass273.11
IUPAC Name3-bromo-1-cycloheptyl-2-methylpiperidine
SMILESCC1C(Br)CCCN1C1CCCCCC1
InChIInChI=1S/C13H24BrN/c1-11-13(14)9-6-10-15(11)12-7-4-2-3-5-8-12/h11-13H,2-10H2,1H3
InChIKeyVBGPLVXWEFAKFM-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.96
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-bromo-1-cycloheptyl-2-methylpiperidine?
The IUPAC name of 3-bromo-1-cycloheptyl-2-methylpiperidine (CID 130934256) is 3-bromo-1-cycloheptyl-2-methylpiperidine.
What is the SMILES notation for 3-bromo-1-cycloheptyl-2-methylpiperidine?
The canonical SMILES for 3-bromo-1-cycloheptyl-2-methylpiperidine is CC1C(Br)CCCN1C1CCCCCC1.
What is the InChIKey of 3-bromo-1-cycloheptyl-2-methylpiperidine?
The InChIKey is VBGPLVXWEFAKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN/c1-11-13(14)9-6-10-15(11)12-7-4-2-3-5-8-12/h11-13H,2-10H2,1H3.
What are the key properties of 3-bromo-1-cycloheptyl-2-methylpiperidine?
3-bromo-1-cycloheptyl-2-methylpiperidine has a molecular weight of 274.25 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cycloheptyl-2-methylpiperidine is sourced from PubChem (CID 130934256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).