2-(2-bromopropyl)-1-ethylpiperidine

C10H20BrN — CID 126979306

IUPAC2-(2-bromopropyl)-1-ethylpiperidine
SMILESCCN1CCCCC1CC(C)Br
InChIInChI=1S/C10H20BrN/c1-3-12-7-5-4-6-10(12)8-9(2)11/h9-10H,3-8H2,1-2H3
InChIKeyXYPSXQXLTYHOPE-UHFFFAOYSA-N
MW234.18 g/mol
LogP3.03
Rot. Bonds3

About 2-(2-bromopropyl)-1-ethylpiperidine

2-(2-bromopropyl)-1-ethylpiperidine (PubChem CID 126979306) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-(2-bromopropyl)-1-ethylpiperidine.

Molecular Properties

Compound Name2-(2-bromopropyl)-1-ethylpiperidine
PubChem CID126979306
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name2-(2-bromopropyl)-1-ethylpiperidine
SMILESCCN1CCCCC1CC(C)Br
InChIInChI=1S/C10H20BrN/c1-3-12-7-5-4-6-10(12)8-9(2)11/h9-10H,3-8H2,1-2H3
InChIKeyXYPSXQXLTYHOPE-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 53.03
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

2-(2-bromopropyl)-1-ethylpyrrolidine
CID 130533962
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
CID 83982203
2-(2-bromopropyl)-1-(3-pyrrolidin-1-ylpropyl)azepane
CID 112748032
1,2-diethylpiperidine
CID 19604037
2-(2-bromopropyl)-1-(oxan-4-ylmethyl)azepane
CID 112748024
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
N-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine
CID 163258347
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropyl)-1-ethylpiperidine?
The IUPAC name of 2-(2-bromopropyl)-1-ethylpiperidine (CID 126979306) is 2-(2-bromopropyl)-1-ethylpiperidine.
What is the SMILES notation for 2-(2-bromopropyl)-1-ethylpiperidine?
The canonical SMILES for 2-(2-bromopropyl)-1-ethylpiperidine is CCN1CCCCC1CC(C)Br.
What is the InChIKey of 2-(2-bromopropyl)-1-ethylpiperidine?
The InChIKey is XYPSXQXLTYHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-3-12-7-5-4-6-10(12)8-9(2)11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(2-bromopropyl)-1-ethylpiperidine?
2-(2-bromopropyl)-1-ethylpiperidine has a molecular weight of 234.18 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropyl)-1-ethylpiperidine is sourced from PubChem (CID 126979306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).