4-prop-2-enoxypiperidine;hydrochloride

C8H16ClNO — CID 46735673

IUPAC4-prop-2-enoxypiperidine;hydrochloride
SMILESC=CCOC1CCNCC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-7-10-8-3-5-9-6-4-8;/h2,8-9H,1,3-7H2;1H
InChIKeyWHSPMDGTUJSSPI-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.36
Rot. Bonds3

About 4-prop-2-enoxypiperidine;hydrochloride

4-prop-2-enoxypiperidine;hydrochloride (PubChem CID 46735673) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-prop-2-enoxypiperidine;hydrochloride.

Molecular Properties

Compound Name4-prop-2-enoxypiperidine;hydrochloride
PubChem CID46735673
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-prop-2-enoxypiperidine;hydrochloride
SMILESC=CCOC1CCNCC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-7-10-8-3-5-9-6-4-8;/h2,8-9H,1,3-7H2;1H
InChIKeyWHSPMDGTUJSSPI-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-prop-2-enoxypiperidine;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 4-prop-2-enoxypiperidine;hydrochloride?
The IUPAC name of 4-prop-2-enoxypiperidine;hydrochloride (CID 46735673) is 4-prop-2-enoxypiperidine;hydrochloride.
What is the SMILES notation for 4-prop-2-enoxypiperidine;hydrochloride?
The canonical SMILES for 4-prop-2-enoxypiperidine;hydrochloride is C=CCOC1CCNCC1.Cl.
What is the InChIKey of 4-prop-2-enoxypiperidine;hydrochloride?
The InChIKey is WHSPMDGTUJSSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-2-7-10-8-3-5-9-6-4-8;/h2,8-9H,1,3-7H2;1H.
What are the key properties of 4-prop-2-enoxypiperidine;hydrochloride?
4-prop-2-enoxypiperidine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxypiperidine;hydrochloride is sourced from PubChem (CID 46735673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).