3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid

C14H20N2O2 — CID 107072568

IUPAC3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(CCc2cccnc2)C1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-11-4-3-8-16(13(11)14(17)18)9-6-12-5-2-7-15-10-12/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,17,18)
InChIKeyVSWGNUZSCDVTLW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds4

About 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid

3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid (PubChem CID 107072568) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid
PubChem CID107072568
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(CCc2cccnc2)C1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-11-4-3-8-16(13(11)14(17)18)9-6-12-5-2-7-15-10-12/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,17,18)
InChIKeyVSWGNUZSCDVTLW-UHFFFAOYSA-N
XLogP1.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
CID 107072171
[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844
3-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]pyridine
CID 63262845
3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 124742750
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 107072167
3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 107071684
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339
N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine
CID 63848353
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid (CID 107072568) is 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid is CC1CCCN(CCc2cccnc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid?
The InChIKey is VSWGNUZSCDVTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-3-8-16(13(11)14(17)18)9-6-12-5-2-7-15-10-12/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid?
3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107072568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).