4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride

C9H16ClNO2 — CID 140579396

IUPAC4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride
SMILESC=CCC1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-2-3-9(8(11)12)4-6-10-7-5-9;/h2,10H,1,3-7H2,(H,11,12);1H
InChIKeyXGWPXJQVAIJQQM-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.44
Rot. Bonds3

About 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride

4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 140579396) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID140579396
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride
SMILESC=CCC1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-2-3-9(8(11)12)4-6-10-7-5-9;/h2,10H,1,3-7H2,(H,11,12);1H
InChIKeyXGWPXJQVAIJQQM-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride (CID 140579396) is 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride is C=CCC1(C(=O)O)CCNCC1.Cl.
What is the InChIKey of 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is XGWPXJQVAIJQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-2-3-9(8(11)12)4-6-10-7-5-9;/h2,10H,1,3-7H2,(H,11,12);1H.
What are the key properties of 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride?
4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 140579396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).