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

C9H18N2O2 — CID 61402862

IUPAC4-(4-aminopiperidin-1-yl)butanoic acid
SMILESNC1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c10-8-3-6-11(7-4-8)5-1-2-9(12)13/h8H,1-7,10H2,(H,12,13)
InChIKeyDDXKCIQHQCEUAR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.27
Rot. Bonds4

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

4-(4-aminopiperidin-1-yl)butanoic acid (PubChem CID 61402862) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)butanoic acid
PubChem CID61402862
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(4-aminopiperidin-1-yl)butanoic acid
SMILESNC1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c10-8-3-6-11(7-4-8)5-1-2-9(12)13/h8H,1-7,10H2,(H,12,13)
InChIKeyDDXKCIQHQCEUAR-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(4-aminopiperidin-1-yl)butanoic acid (CID 61402862) is 4-(4-aminopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)butanoic acid is NC1CCN(CCCC(=O)O)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)butanoic acid?
The InChIKey is DDXKCIQHQCEUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-8-3-6-11(7-4-8)5-1-2-9(12)13/h8H,1-7,10H2,(H,12,13).
What are the key properties of 4-(4-aminopiperidin-1-yl)butanoic acid?
4-(4-aminopiperidin-1-yl)butanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 61402862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).