4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid

C12H17N3O2 — CID 117011765

IUPAC4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C12H17N3O2/c13-12(11(16)17)3-7-15(8-4-12)9-10-1-5-14-6-2-10/h1-2,5-6H,3-4,7-9,13H2,(H,16,17)
InChIKeyFHKUFCXHIPIJIO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.46
Rot. Bonds3

About 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid

4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 117011765) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
PubChem CID117011765
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C12H17N3O2/c13-12(11(16)17)3-7-15(8-4-12)9-10-1-5-14-6-2-10/h1-2,5-6H,3-4,7-9,13H2,(H,16,17)
InChIKeyFHKUFCXHIPIJIO-UHFFFAOYSA-N
XLogP0.46
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-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

Related Compounds

3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
(3S)-3-amino-1-[(3,5-dichlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 95206566
4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 117025480
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylacetic acid
CID 60948108
2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472798
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid (CID 117011765) is 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid is NC1(C(=O)O)CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is FHKUFCXHIPIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(11(16)17)3-7-15(8-4-12)9-10-1-5-14-6-2-10/h1-2,5-6H,3-4,7-9,13H2,(H,16,17).
What are the key properties of 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117011765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).