4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid

C12H17N3O2 — CID 166652941

IUPAC4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
SMILESNC1(Cc2cccnc2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H17N3O2/c13-12(8-10-2-1-5-14-9-10)3-6-15(7-4-12)11(16)17/h1-2,5,9H,3-4,6-8,13H2,(H,16,17)
InChIKeyFFJZYMMZZNIYDR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.10
Rot. Bonds2

About 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid

4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 166652941) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
PubChem CID166652941
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
SMILESNC1(Cc2cccnc2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H17N3O2/c13-12(8-10-2-1-5-14-9-10)3-6-15(7-4-12)11(16)17/h1-2,5,9H,3-4,6-8,13H2,(H,16,17)
InChIKeyFFJZYMMZZNIYDR-UHFFFAOYSA-N
XLogP1.10
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 83694151
4-(pyridin-3-ylmethyl)piperidin-4-amine
CID 86277721
1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 162146330
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900
1-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155990905
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115304597
4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 68644265
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
(3S,4S)-4-benzyl-3-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-4-carboxylic acid
CID 155917579

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid (CID 166652941) is 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid is NC1(Cc2cccnc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is FFJZYMMZZNIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(8-10-2-1-5-14-9-10)3-6-15(7-4-12)11(16)17/h1-2,5,9H,3-4,6-8,13H2,(H,16,17).
What are the key properties of 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid?
4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 166652941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).