2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine

C13H21ClN2 — CID 145424602

IUPAC2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine
SMILESC=C/N=C(\C(=C)Cl)C1CCCC(CCC)N1
InChIInChI=1S/C13H21ClN2/c1-4-7-11-8-6-9-12(16-11)13(10(3)14)15-5-2/h5,11-12,16H,2-4,6-9H2,1H3/b15-13+
InChIKeyFULPKMBUNMCLPS-FYWRMAATSA-N
MW240.78 g/mol
LogP3.63
Rot. Bonds5

About 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine

2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine (PubChem CID 145424602) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine
PubChem CID145424602
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine
SMILESC=C/N=C(\C(=C)Cl)C1CCCC(CCC)N1
InChIInChI=1S/C13H21ClN2/c1-4-7-11-8-6-9-12(16-11)13(10(3)14)15-5-2/h5,11-12,16H,2-4,6-9H2,1H3/b15-13+
InChIKeyFULPKMBUNMCLPS-FYWRMAATSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine?
The IUPAC name of 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine (CID 145424602) is 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine.
What is the SMILES notation for 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine?
The canonical SMILES for 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine is C=C/N=C(\C(=C)Cl)C1CCCC(CCC)N1.
What is the InChIKey of 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine?
The InChIKey is FULPKMBUNMCLPS-FYWRMAATSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-7-11-8-6-9-12(16-11)13(10(3)14)15-5-2/h5,11-12,16H,2-4,6-9H2,1H3/b15-13+.
What are the key properties of 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine?
2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine has a molecular weight of 240.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 145424602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).