1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid

C12H17N3O2 — CID 18771697

IUPAC1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESNc1cccc(CN2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O2/c13-11-5-1-4-10(14-11)8-15-6-2-3-9(7-15)12(16)17/h1,4-5,9H,2-3,6-8H2,(H2,13,14)(H,16,17)
InChIKeyZCMPJIMFJIRXNA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.96
Rot. Bonds3

About 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid

1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 18771697) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
PubChem CID18771697
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESNc1cccc(CN2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O2/c13-11-5-1-4-10(14-11)8-15-6-2-3-9(7-15)12(16)17/h1,4-5,9H,2-3,6-8H2,(H2,13,14)(H,16,17)
InChIKeyZCMPJIMFJIRXNA-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
6-[[3-(dimethylamino)piperidin-1-yl]methyl]pyridin-2-amine
CID 79230714
(3R)-1-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 131002661
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
1-[(6-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 79243973
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169
6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 90305518
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 4313757

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 18771697) is 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid is Nc1cccc(CN2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is ZCMPJIMFJIRXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11-5-1-4-10(14-11)8-15-6-2-3-9(7-15)12(16)17/h1,4-5,9H,2-3,6-8H2,(H2,13,14)(H,16,17).
What are the key properties of 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 18771697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).