4-(4-bromocyclohexyl)piperidine

C11H20BrN — CID 140885030

IUPAC4-(4-bromocyclohexyl)piperidine
SMILESBrC1CCC(C2CCNCC2)CC1
InChIInChI=1S/C11H20BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h9-11,13H,1-8H2
InChIKeyGOEDAFLBAYGWEP-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.94
Rot. Bonds1

About 4-(4-bromocyclohexyl)piperidine

4-(4-bromocyclohexyl)piperidine (PubChem CID 140885030) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 4-(4-bromocyclohexyl)piperidine.

Molecular Properties

Compound Name4-(4-bromocyclohexyl)piperidine
PubChem CID140885030
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name4-(4-bromocyclohexyl)piperidine
SMILESBrC1CCC(C2CCNCC2)CC1
InChIInChI=1S/C11H20BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h9-11,13H,1-8H2
InChIKeyGOEDAFLBAYGWEP-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexylpiperidine
CID 3809353
4-Cyclohexylpiperidine
CID 424240
5-Bromo-2-(3,5-difluorocyclohexyl)piperidine
CID 140420144
5-Bromo-2-(3-fluoro-5-methylcyclohexyl)piperidine
CID 141816135
6-Bromodecahydroisoquinoline hydrobromide
CID 2776085
6-Bromo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 2776086
4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 2776089
4-(4-Bromobutyl)piperidine
CID 2784663
(3S)-3-cyclohexylpiperidine
CID 7016473
9-(Bromomethyl)-3-azaspiro[5.5]undecane
CID 20295361
4-(6-Bromohexyl)piperidine
CID 54048300
4-(6-Bromohexyl)piperidine;hydrobromide
CID 70085272

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromocyclohexyl)piperidine?
The IUPAC name of 4-(4-bromocyclohexyl)piperidine (CID 140885030) is 4-(4-bromocyclohexyl)piperidine.
What is the SMILES notation for 4-(4-bromocyclohexyl)piperidine?
The canonical SMILES for 4-(4-bromocyclohexyl)piperidine is BrC1CCC(C2CCNCC2)CC1.
What is the InChIKey of 4-(4-bromocyclohexyl)piperidine?
The InChIKey is GOEDAFLBAYGWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h9-11,13H,1-8H2.
What are the key properties of 4-(4-bromocyclohexyl)piperidine?
4-(4-bromocyclohexyl)piperidine has a molecular weight of 246.19 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromocyclohexyl)piperidine is sourced from PubChem (CID 140885030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).