4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride

C10H20ClNO2 — CID 3051311

IUPAC4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride
SMILESCC1CC(CCCC(=O)O)CCN1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8-7-9(5-6-11-8)3-2-4-10(12)13;/h8-9,11H,2-7H2,1H3,(H,12,13);1H
InChIKeyBYPADVKQYWUBRH-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.05
Rot. Bonds4

About 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride

4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride (PubChem CID 3051311) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride
PubChem CID3051311
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride
SMILESCC1CC(CCCC(=O)O)CCN1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8-7-9(5-6-11-8)3-2-4-10(12)13;/h8-9,11H,2-7H2,1H3,(H,12,13);1H
InChIKeyBYPADVKQYWUBRH-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride (CID 3051311) is 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride is CC1CC(CCCC(=O)O)CCN1.Cl.
What is the InChIKey of 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride?
The InChIKey is BYPADVKQYWUBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8-7-9(5-6-11-8)3-2-4-10(12)13;/h8-9,11H,2-7H2,1H3,(H,12,13);1H.
What are the key properties of 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride?
4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-4-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 3051311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).