(E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine

C8H14ClN3 — CID 171568635

IUPAC(E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine
SMILESN/C=C(Cl)\C=N\C1CCNCC1
InChIInChI=1S/C8H14ClN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h5-6,8,11H,1-4,10H2/b7-5+,12-6+
InChIKeyGKDMEXRSCFQAFZ-YTEPGLGFSA-N
MW187.67 g/mol
LogP0.85
Rot. Bonds2

About (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine

(E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine (PubChem CID 171568635) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine
PubChem CID171568635
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name(E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine
SMILESN/C=C(Cl)\C=N\C1CCNCC1
InChIInChI=1S/C8H14ClN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h5-6,8,11H,1-4,10H2/b7-5+,12-6+
InChIKeyGKDMEXRSCFQAFZ-YTEPGLGFSA-N
XLogP0.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine 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

5-chloro-1-[(3S,4R)-3-fluoropiperidin-4-yl]-2H-pyrimidine
CID 177782406
(E)-2-bromo-3-piperidin-4-yliminoprop-1-en-1-amine
CID 145524944
2-Iodo-3-piperidin-4-yliminoprop-1-en-1-amine
CID 148866379
(Z)-3-piperidin-4-yliminoprop-1-en-1-amine
CID 153377316

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine?
The IUPAC name of (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine (CID 171568635) is (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine is N/C=C(Cl)\C=N\C1CCNCC1.
What is the InChIKey of (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine?
The InChIKey is GKDMEXRSCFQAFZ-YTEPGLGFSA-N. The full InChI is InChI=1S/C8H14ClN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h5-6,8,11H,1-4,10H2/b7-5+,12-6+.
What are the key properties of (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine?
(E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine has a molecular weight of 187.67 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-3-piperidin-4-yliminoprop-1-en-1-amine is sourced from PubChem (CID 171568635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).