3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride

C9H18ClNO2 — CID 75525929

IUPAC3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride
SMILESCN1CCCCC1CCC(=O)O.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-10-7-3-2-4-8(10)5-6-9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKeyJFQRMWWBTZRIAB-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.76
Rot. Bonds3

About 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride

3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride (PubChem CID 75525929) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride
PubChem CID75525929
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride
SMILESCN1CCCCC1CCC(=O)O.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-10-7-3-2-4-8(10)5-6-9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKeyJFQRMWWBTZRIAB-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride (CID 75525929) is 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride is CN1CCCCC1CCC(=O)O.Cl.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride?
The InChIKey is JFQRMWWBTZRIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-10-7-3-2-4-8(10)5-6-9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H.
What are the key properties of 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride?
3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 75525929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).