2-(3-amino-4-phenylpiperidin-1-yl)acetic acid

C13H18N2O2 — CID 174681284

IUPAC2-(3-amino-4-phenylpiperidin-1-yl)acetic acid
SMILESNC1CN(CC(=O)O)CCC1c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-12-8-15(9-13(16)17)7-6-11(12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H,16,17)
InChIKeyJCOQEVGBWDFSQI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.89
Rot. Bonds3

About 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid

2-(3-amino-4-phenylpiperidin-1-yl)acetic acid (PubChem CID 174681284) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-4-phenylpiperidin-1-yl)acetic acid
PubChem CID174681284
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-amino-4-phenylpiperidin-1-yl)acetic acid
SMILESNC1CN(CC(=O)O)CCC1c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-12-8-15(9-13(16)17)7-6-11(12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H,16,17)
InChIKeyJCOQEVGBWDFSQI-UHFFFAOYSA-N
XLogP0.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine
CID 68549689
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 120762004
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 120762003
1-(3-amino-4-phenylpyrrolidin-1-yl)-2-(azocan-1-yl)ethanone
CID 156604119
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 120762054
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclooctylacetamide;hydrochloride
CID 120761330
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 120761249
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120761248
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid (CID 174681284) is 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid is NC1CN(CC(=O)O)CCC1c1ccccc1.
What is the InChIKey of 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid?
The InChIKey is JCOQEVGBWDFSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-8-15(9-13(16)17)7-6-11(12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H,16,17).
What are the key properties of 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid?
2-(3-amino-4-phenylpiperidin-1-yl)acetic acid has a molecular weight of 234.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-phenylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 174681284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).