1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid

C12H16N2O2 — CID 3310789

IUPAC1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1ccccn1
InChIInChI=1S/C12H16N2O2/c15-12(16)11-6-2-4-8-14(11)9-10-5-1-3-7-13-10/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,16)
InChIKeyIAFCDOYHRSJFAY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.52
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid

1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 3310789) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
PubChem CID3310789
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1ccccn1
InChIInChI=1S/C12H16N2O2/c15-12(16)11-6-2-4-8-14(11)9-10-5-1-3-7-13-10/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,16)
InChIKeyIAFCDOYHRSJFAY-UHFFFAOYSA-N
XLogP1.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3611610
1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
CID 4286493
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]acetate
CID 52943483
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
1-(pyridin-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471528
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid (CID 3310789) is 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is IAFCDOYHRSJFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)11-6-2-4-8-14(11)9-10-5-1-3-7-13-10/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,16).
What are the key properties of 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid?
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 3310789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).