2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride

C9H19ClN2O2 — CID 138695310

IUPAC2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
SMILESCCC(C(=O)O)N1CCC(N)CC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-2-8(9(12)13)11-5-3-7(10)4-6-11;/h7-8H,2-6,10H2,1H3,(H,12,13);1H
InChIKeyQGLHOPUYVZJYLO-UHFFFAOYSA-N
MW222.72 g/mol
LogP0.69
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride

2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride (PubChem CID 138695310) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
PubChem CID138695310
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
SMILESCCC(C(=O)O)N1CCC(N)CC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-2-8(9(12)13)11-5-3-7(10)4-6-11;/h7-8H,2-6,10H2,1H3,(H,12,13);1H
InChIKeyQGLHOPUYVZJYLO-UHFFFAOYSA-N
XLogP0.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
CID 103519870
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
2-(azocan-1-yl)butanoic acid
CID 43808973
(2R)-2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]butanoic acid
CID 129401528
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid
CID 129495739
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
CID 83040756
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
CID 129445747
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
CID 115314252

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride (CID 138695310) is 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride is CCC(C(=O)O)N1CCC(N)CC1.Cl.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride?
The InChIKey is QGLHOPUYVZJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-2-8(9(12)13)11-5-3-7(10)4-6-11;/h7-8H,2-6,10H2,1H3,(H,12,13);1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride?
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 138695310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).