3-bromo-1-cyclohexylpiperidine

C11H20BrN — CID 82937175

IUPAC3-bromo-1-cyclohexylpiperidine
SMILESBrC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C11H20BrN/c12-10-5-4-8-13(9-10)11-6-2-1-3-7-11/h10-11H,1-9H2
InChIKeySDSBRDPBKKGANZ-UHFFFAOYSA-N
MW246.19 g/mol
LogP3.18
Rot. Bonds1

About 3-bromo-1-cyclohexylpiperidine

3-bromo-1-cyclohexylpiperidine (PubChem CID 82937175) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-bromo-1-cyclohexylpiperidine.

Molecular Properties

Compound Name3-bromo-1-cyclohexylpiperidine
PubChem CID82937175
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name3-bromo-1-cyclohexylpiperidine
SMILESBrC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C11H20BrN/c12-10-5-4-8-13(9-10)11-6-2-1-3-7-11/h10-11H,1-9H2
InChIKeySDSBRDPBKKGANZ-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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Related Compounds

(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
3-(bromomethyl)-1-cyclohexylpiperidine
CID 82937353
1-azabicyclo[9.1.0]dodecane
CID 87228787
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-cyclooctyl-N-methylpiperidin-3-amine
CID 62536163
N,1-dicyclohexylpiperidin-3-amine
CID 83999394
1-cyclohexylpiperidine;methane
CID 143122486
CID 175727151
CID 175727151
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclohexylpiperidine?
The IUPAC name of 3-bromo-1-cyclohexylpiperidine (CID 82937175) is 3-bromo-1-cyclohexylpiperidine.
What is the SMILES notation for 3-bromo-1-cyclohexylpiperidine?
The canonical SMILES for 3-bromo-1-cyclohexylpiperidine is BrC1CCCN(C2CCCCC2)C1.
What is the InChIKey of 3-bromo-1-cyclohexylpiperidine?
The InChIKey is SDSBRDPBKKGANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c12-10-5-4-8-13(9-10)11-6-2-1-3-7-11/h10-11H,1-9H2.
What are the key properties of 3-bromo-1-cyclohexylpiperidine?
3-bromo-1-cyclohexylpiperidine 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 3-bromo-1-cyclohexylpiperidine is sourced from PubChem (CID 82937175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).