1-penta-1,4-dien-3-ylpiperidine;hydrochloride

C10H18ClN — CID 173077168

IUPAC1-penta-1,4-dien-3-ylpiperidine;hydrochloride
SMILESC=CC(C=C)N1CCCCC1.Cl
InChIInChI=1S/C10H17N.ClH/c1-3-10(4-2)11-8-6-5-7-9-11;/h3-4,10H,1-2,5-9H2;1H
InChIKeyYFYIFRDXIJDBIX-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.63
Rot. Bonds3

About 1-penta-1,4-dien-3-ylpiperidine;hydrochloride

1-penta-1,4-dien-3-ylpiperidine;hydrochloride (PubChem CID 173077168) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 1-penta-1,4-dien-3-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-penta-1,4-dien-3-ylpiperidine;hydrochloride
PubChem CID173077168
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name1-penta-1,4-dien-3-ylpiperidine;hydrochloride
SMILESC=CC(C=C)N1CCCCC1.Cl
InChIInChI=1S/C10H17N.ClH/c1-3-10(4-2)11-8-6-5-7-9-11;/h3-4,10H,1-2,5-9H2;1H
InChIKeyYFYIFRDXIJDBIX-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-penta-1,4-dien-3-ylpiperidine;hydrochloride 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 1-penta-1,4-dien-3-ylpiperidine;hydrochloride?
The IUPAC name of 1-penta-1,4-dien-3-ylpiperidine;hydrochloride (CID 173077168) is 1-penta-1,4-dien-3-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-penta-1,4-dien-3-ylpiperidine;hydrochloride?
The canonical SMILES for 1-penta-1,4-dien-3-ylpiperidine;hydrochloride is C=CC(C=C)N1CCCCC1.Cl.
What is the InChIKey of 1-penta-1,4-dien-3-ylpiperidine;hydrochloride?
The InChIKey is YFYIFRDXIJDBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.ClH/c1-3-10(4-2)11-8-6-5-7-9-11;/h3-4,10H,1-2,5-9H2;1H.
What are the key properties of 1-penta-1,4-dien-3-ylpiperidine;hydrochloride?
1-penta-1,4-dien-3-ylpiperidine;hydrochloride has a molecular weight of 187.71 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dien-3-ylpiperidine;hydrochloride is sourced from PubChem (CID 173077168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).