4-(1-aminoethyl)piperidine-1-carboxylic acid

C8H16N2O2 — CID 22135570

IUPAC4-(1-aminoethyl)piperidine-1-carboxylic acid
SMILESCC(N)C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-6(9)7-2-4-10(5-3-7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyTVXYGFDZKPARQO-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.72
Rot. Bonds1

About 4-(1-aminoethyl)piperidine-1-carboxylic acid

4-(1-aminoethyl)piperidine-1-carboxylic acid (PubChem CID 22135570) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(1-aminoethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-aminoethyl)piperidine-1-carboxylic acid
PubChem CID22135570
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(1-aminoethyl)piperidine-1-carboxylic acid
SMILESCC(N)C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-6(9)7-2-4-10(5-3-7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyTVXYGFDZKPARQO-UHFFFAOYSA-N
XLogP0.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1-aminoethyl)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1-aminoethyl)piperidine-1-carboxylic acid (CID 22135570) is 4-(1-aminoethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-aminoethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-aminoethyl)piperidine-1-carboxylic acid is CC(N)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(1-aminoethyl)piperidine-1-carboxylic acid?
The InChIKey is TVXYGFDZKPARQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)7-2-4-10(5-3-7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12).
What are the key properties of 4-(1-aminoethyl)piperidine-1-carboxylic acid?
4-(1-aminoethyl)piperidine-1-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22135570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).