1-(2-bromoethyl)-4-propylpiperidine

C10H20BrN — CID 62206641

IUPAC1-(2-bromoethyl)-4-propylpiperidine
SMILESCCCC1CCN(CCBr)CC1
InChIInChI=1S/C10H20BrN/c1-2-3-10-4-7-12(8-5-10)9-6-11/h10H,2-9H2,1H3
InChIKeyOSVJLFUPDWCXSX-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-bromoethyl)-4-propylpiperidine

1-(2-bromoethyl)-4-propylpiperidine (PubChem CID 62206641) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-propylpiperidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-propylpiperidine
PubChem CID62206641
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name1-(2-bromoethyl)-4-propylpiperidine
SMILESCCCC1CCN(CCBr)CC1
InChIInChI=1S/C10H20BrN/c1-2-3-10-4-7-12(8-5-10)9-6-11/h10H,2-9H2,1H3
InChIKeyOSVJLFUPDWCXSX-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bromoethyl)-4-propylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine
CID 156821255
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine
CID 65013559
1-(methoxymethyl)-4-propylpiperidine
CID 18738071
3-(4-propylpiperidin-1-yl)propane-1-sulfinate
CID 174406890
ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine
CID 166535515
1-(3-bromo-2,2-dimethylpropyl)-4-propylazepane
CID 64997751
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
2-[2-(4-propylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79563875
4-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 63503899

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-propylpiperidine?
The IUPAC name of 1-(2-bromoethyl)-4-propylpiperidine (CID 62206641) is 1-(2-bromoethyl)-4-propylpiperidine.
What is the SMILES notation for 1-(2-bromoethyl)-4-propylpiperidine?
The canonical SMILES for 1-(2-bromoethyl)-4-propylpiperidine is CCCC1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-propylpiperidine?
The InChIKey is OSVJLFUPDWCXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-2-3-10-4-7-12(8-5-10)9-6-11/h10H,2-9H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-propylpiperidine?
1-(2-bromoethyl)-4-propylpiperidine has a molecular weight of 234.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-propylpiperidine is sourced from PubChem (CID 62206641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).