1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid

C14H18N2O3 — CID 83971736

IUPAC1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
SMILESNCC(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c15-8-13(17)10-3-5-12(6-4-10)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9,15H2,(H,18,19)
InChIKeyBKCQPEJXMXMXPU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.13
Rot. Bonds4

About 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid

1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid (PubChem CID 83971736) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
PubChem CID83971736
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
SMILESNCC(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c15-8-13(17)10-3-5-12(6-4-10)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9,15H2,(H,18,19)
InChIKeyBKCQPEJXMXMXPU-UHFFFAOYSA-N
XLogP1.13
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
1-[4-(methylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967234
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 83971754
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917
1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
CID 43453928
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
1-[4-(prop-2-enylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967233

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid (CID 83971736) is 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid is NCC(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid?
The InChIKey is BKCQPEJXMXMXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-8-13(17)10-3-5-12(6-4-10)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9,15H2,(H,18,19).
What are the key properties of 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid?
1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 83971736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).