2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride

C9H18ClNO2 — CID 170913933

IUPAC2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)C1CCN(C)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(9(11)12)8-3-5-10(2)6-4-8;/h7-8H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyYQKSGAZXLUGTEF-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.47
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride

2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride (PubChem CID 170913933) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride
PubChem CID170913933
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)C1CCN(C)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(9(11)12)8-3-5-10(2)6-4-8;/h7-8H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyYQKSGAZXLUGTEF-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride (CID 170913933) is 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride is CC(C(=O)O)C1CCN(C)CC1.Cl.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride?
The InChIKey is YQKSGAZXLUGTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-7(9(11)12)8-3-5-10(2)6-4-8;/h7-8H,3-6H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride?
2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 170913933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).