3-(4-aminopiperidin-1-yl)butanoic acid

C9H18N2O2 — CID 43556886

IUPAC3-(4-aminopiperidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-7(6-9(12)13)11-4-2-8(10)3-5-11/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyXQVCZUJRWJHFED-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.27
Rot. Bonds3

About 3-(4-aminopiperidin-1-yl)butanoic acid

3-(4-aminopiperidin-1-yl)butanoic acid (PubChem CID 43556886) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)butanoic acid
PubChem CID43556886
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(4-aminopiperidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-7(6-9(12)13)11-4-2-8(10)3-5-11/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyXQVCZUJRWJHFED-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid
CID 43537431
(2S)-2-(4-aminopiperidin-1-yl)propan-1-ol
CID 130665255
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972
3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 68522004
3-(4-ethylpiperazin-1-yl)butanoic acid
CID 43537206
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
(4S)-4-(4-aminopiperidin-1-yl)pentan-1-ol
CID 94830708
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
3-(4-formylpiperazin-1-yl)butanoic acid
CID 82112365
3-(4-methylsulfonylpiperazin-1-yl)butanoic acid
CID 62993470
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310
3-(8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 63158284

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)butanoic acid?
The IUPAC name of 3-(4-aminopiperidin-1-yl)butanoic acid (CID 43556886) is 3-(4-aminopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)butanoic acid?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)butanoic acid is CC(CC(=O)O)N1CCC(N)CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)butanoic acid?
The InChIKey is XQVCZUJRWJHFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(6-9(12)13)11-4-2-8(10)3-5-11/h7-8H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 3-(4-aminopiperidin-1-yl)butanoic acid?
3-(4-aminopiperidin-1-yl)butanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 43556886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).