2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline

C15H18ClN3 — CID 63390007

IUPAC2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
SMILESClCCC1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C15H18ClN3/c16-8-7-12-4-3-9-19(11-12)15-10-17-13-5-1-2-6-14(13)18-15/h1-2,5-6,10,12H,3-4,7-9,11H2
InChIKeyJUPYGLKBWCKNHS-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.48
Rot. Bonds3

About 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline

2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline (PubChem CID 63390007) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
PubChem CID63390007
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
SMILESClCCC1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C15H18ClN3/c16-8-7-12-4-3-9-19(11-12)15-10-17-13-5-1-2-6-14(13)18-15/h1-2,5-6,10,12H,3-4,7-9,11H2
InChIKeyJUPYGLKBWCKNHS-UHFFFAOYSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline 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

[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
CID 163353005
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
CID 63389905
tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
CID 51967498
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
2-[3-(2-chloroethyl)piperidin-1-yl]-6-methoxypyridine
CID 55212396
2-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]quinoxaline
CID 95556468

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline?
The IUPAC name of 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline (CID 63390007) is 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline?
The canonical SMILES for 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline is ClCCC1CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline?
The InChIKey is JUPYGLKBWCKNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-8-7-12-4-3-9-19(11-12)15-10-17-13-5-1-2-6-14(13)18-15/h1-2,5-6,10,12H,3-4,7-9,11H2.
What are the key properties of 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline?
2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline has a molecular weight of 275.78 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline is sourced from PubChem (CID 63390007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).