4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid

C12H17N3O2 — CID 18536528

IUPAC4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
SMILESNCC1(C(=O)O)CCN(c2ccncc2)CC1
InChIInChI=1S/C12H17N3O2/c13-9-12(11(16)17)3-7-15(8-4-12)10-1-5-14-6-2-10/h1-2,5-6H,3-4,7-9,13H2,(H,16,17)
InChIKeyUYNJRNBCHXENBI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.71
Rot. Bonds3

About 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid

4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid (PubChem CID 18536528) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
PubChem CID18536528
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
SMILESNCC1(C(=O)O)CCN(c2ccncc2)CC1
InChIInChI=1S/C12H17N3O2/c13-9-12(11(16)17)3-7-15(8-4-12)10-1-5-14-6-2-10/h1-2,5-6H,3-4,7-9,13H2,(H,16,17)
InChIKeyUYNJRNBCHXENBI-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride
CID 68970925
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 18440675
3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
CID 154899041
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
4-(3,3-dimethylpyrrolidin-1-yl)pyridine
CID 67580177
4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
CID 83907010
1-pyridin-4-yl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yloxymethyl)piperidine-4-carboxylic acid
CID 18536385
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
4-pyrrolidin-1-ylpyridine
CID 158456628
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid (CID 18536528) is 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid is NCC1(C(=O)O)CCN(c2ccncc2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is UYNJRNBCHXENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-9-12(11(16)17)3-7-15(8-4-12)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-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 18536528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).