2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid

C12H16N2O2 — CID 121267335

IUPAC2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid
SMILESCC1CC(c2cccnc2)CCN1C(=O)O
InChIInChI=1S/C12H16N2O2/c1-9-7-10(4-6-14(9)12(15)16)11-3-2-5-13-8-11/h2-3,5,8-10H,4,6-7H2,1H3,(H,15,16)
InChIKeyHOFWCQWDOFRCEP-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.33
Rot. Bonds1

About 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid

2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid (PubChem CID 121267335) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid
PubChem CID121267335
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid
SMILESCC1CC(c2cccnc2)CCN1C(=O)O
InChIInChI=1S/C12H16N2O2/c1-9-7-10(4-6-14(9)12(15)16)11-3-2-5-13-8-11/h2-3,5,8-10H,4,6-7H2,1H3,(H,15,16)
InChIKeyHOFWCQWDOFRCEP-UHFFFAOYSA-N
XLogP2.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2R,4R,6R)-1,6-dimethyl-4-pyridin-3-ylpiperidin-2-ol
CID 125449895
(3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
CID 154856684
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
CID 136582250
(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 122139809
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
cis-(2S,4S)-2-acetyl-4-pyridin-3-ylcyclohexan-1-one
CID 129387672

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The IUPAC name of 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid (CID 121267335) is 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid is CC1CC(c2cccnc2)CCN1C(=O)O.
What is the InChIKey of 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The InChIKey is HOFWCQWDOFRCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-7-10(4-6-14(9)12(15)16)11-3-2-5-13-8-11/h2-3,5,8-10H,4,6-7H2,1H3,(H,15,16).
What are the key properties of 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid?
2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 121267335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).