2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride

C9H16ClNO2 — CID 131134631

IUPAC2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride
SMILESC=CC1CCN(CC(=O)O)CC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-2-8-3-5-10(6-4-8)7-9(11)12;/h2,8H,1,3-7H2,(H,11,12);1H
InChIKeyXNPCAEKFWJCBQX-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride

2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride (PubChem CID 131134631) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride
PubChem CID131134631
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride
SMILESC=CC1CCN(CC(=O)O)CC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-2-8-3-5-10(6-4-8)7-9(11)12;/h2,8H,1,3-7H2,(H,11,12);1H
InChIKeyXNPCAEKFWJCBQX-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.39
H-Bond Donors ≤ 51
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 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride (CID 131134631) is 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride is C=CC1CCN(CC(=O)O)CC1.Cl.
What is the InChIKey of 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride?
The InChIKey is XNPCAEKFWJCBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-2-8-3-5-10(6-4-8)7-9(11)12;/h2,8H,1,3-7H2,(H,11,12);1H.
What are the key properties of 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride?
2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 131134631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).