3-(prop-2-enoxymethyl)piperidine;hydrochloride

C9H18ClNO — CID 66523886

IUPAC3-(prop-2-enoxymethyl)piperidine;hydrochloride
SMILESC=CCOCC1CCCNC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-6-11-8-9-4-3-5-10-7-9;/h2,9-10H,1,3-8H2;1H
InChIKeyYREGPNBCSYPBNJ-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.61
Rot. Bonds4

About 3-(prop-2-enoxymethyl)piperidine;hydrochloride

3-(prop-2-enoxymethyl)piperidine;hydrochloride (PubChem CID 66523886) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-(prop-2-enoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(prop-2-enoxymethyl)piperidine;hydrochloride
PubChem CID66523886
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-(prop-2-enoxymethyl)piperidine;hydrochloride
SMILESC=CCOCC1CCCNC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-6-11-8-9-4-3-5-10-7-9;/h2,9-10H,1,3-8H2;1H
InChIKeyYREGPNBCSYPBNJ-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(prop-2-enoxymethyl)piperidine;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 3-(prop-2-enoxymethyl)piperidine;hydrochloride?
The IUPAC name of 3-(prop-2-enoxymethyl)piperidine;hydrochloride (CID 66523886) is 3-(prop-2-enoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(prop-2-enoxymethyl)piperidine;hydrochloride?
The canonical SMILES for 3-(prop-2-enoxymethyl)piperidine;hydrochloride is C=CCOCC1CCCNC1.Cl.
What is the InChIKey of 3-(prop-2-enoxymethyl)piperidine;hydrochloride?
The InChIKey is YREGPNBCSYPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-2-6-11-8-9-4-3-5-10-7-9;/h2,9-10H,1,3-8H2;1H.
What are the key properties of 3-(prop-2-enoxymethyl)piperidine;hydrochloride?
3-(prop-2-enoxymethyl)piperidine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 66523886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).