3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid

C15H22N2O2 — CID 64558858

IUPAC3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
SMILESNCC1CCCN(CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c16-9-12-5-4-8-17(10-12)11-14(15(18)19)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11,16H2,(H,18,19)
InChIKeyZWCSJCWYAAHICG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.53
Rot. Bonds5

About 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid

3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid (PubChem CID 64558858) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
PubChem CID64558858
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
SMILESNCC1CCCN(CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c16-9-12-5-4-8-17(10-12)11-14(15(18)19)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11,16H2,(H,18,19)
InChIKeyZWCSJCWYAAHICG-UHFFFAOYSA-N
XLogP1.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
CID 63075263
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 103976377
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid?
The IUPAC name of 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid (CID 64558858) is 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid is NCC1CCCN(CC(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid?
The InChIKey is ZWCSJCWYAAHICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-9-12-5-4-8-17(10-12)11-14(15(18)19)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11,16H2,(H,18,19).
What are the key properties of 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid?
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid is sourced from PubChem (CID 64558858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).