3-(bromomethyl)-1-cyclohexylpiperidine

C12H22BrN — CID 82937353

IUPAC3-(bromomethyl)-1-cyclohexylpiperidine
SMILESBrCC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C12H22BrN/c13-9-11-5-4-8-14(10-11)12-6-2-1-3-7-12/h11-12H,1-10H2
InChIKeyFQXJKBYBKKRLNI-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.43
Rot. Bonds2

About 3-(bromomethyl)-1-cyclohexylpiperidine

3-(bromomethyl)-1-cyclohexylpiperidine (PubChem CID 82937353) has the molecular formula C12H22BrN and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-(bromomethyl)-1-cyclohexylpiperidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-cyclohexylpiperidine
PubChem CID82937353
Molecular FormulaC12H22BrN
Molecular Weight260.22 g/mol
Exact Mass259.09
IUPAC Name3-(bromomethyl)-1-cyclohexylpiperidine
SMILESBrCC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C12H22BrN/c13-9-11-5-4-8-14(10-11)12-6-2-1-3-7-12/h11-12H,1-10H2
InChIKeyFQXJKBYBKKRLNI-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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)-3-(bromomethyl)-1-(thian-4-yl)piperidine
CID 124908555
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
[(3R)-1-cyclopentylpiperidin-3-yl]methanamine
CID 27440320
2-[(3R)-1-cyclohexylpiperidin-3-yl]ethanamine
CID 95308858
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
1-cyclopentyl-3-(isocyanomethyl)piperidine
CID 84772498
N-[(1-cyclohexylpiperidin-3-yl)methyl]propan-2-amine
CID 63240594
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
3-bromo-1-cyclohexylpiperidine
CID 82937175
3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
1-cyclopropyl-3-ethylpiperidine
CID 76560892
1-cyclobutylpiperidin-3-amine
CID 63935163

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-cyclohexylpiperidine?
The IUPAC name of 3-(bromomethyl)-1-cyclohexylpiperidine (CID 82937353) is 3-(bromomethyl)-1-cyclohexylpiperidine.
What is the SMILES notation for 3-(bromomethyl)-1-cyclohexylpiperidine?
The canonical SMILES for 3-(bromomethyl)-1-cyclohexylpiperidine is BrCC1CCCN(C2CCCCC2)C1.
What is the InChIKey of 3-(bromomethyl)-1-cyclohexylpiperidine?
The InChIKey is FQXJKBYBKKRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN/c13-9-11-5-4-8-14(10-11)12-6-2-1-3-7-12/h11-12H,1-10H2.
What are the key properties of 3-(bromomethyl)-1-cyclohexylpiperidine?
3-(bromomethyl)-1-cyclohexylpiperidine has a molecular weight of 260.22 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-cyclohexylpiperidine is sourced from PubChem (CID 82937353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).