3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

C15H22N2O2 — CID 81318651

IUPAC3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2ccc(C)cn2)C1
InChIInChI=1S/C15H22N2O2/c1-3-15(14(18)19)7-4-8-17(11-15)10-13-6-5-12(2)9-16-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyYYBHUZCEKJYJCG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.47
Rot. Bonds4

About 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 81318651) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
PubChem CID81318651
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2ccc(C)cn2)C1
InChIInChI=1S/C15H22N2O2/c1-3-15(14(18)19)7-4-8-17(11-15)10-13-6-5-12(2)9-16-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyYYBHUZCEKJYJCG-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 81318757
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703
3-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 64773302
3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
CID 63137397
3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 63137440
3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 65068542
(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95545248
1-[(2,5-dimethylphenyl)methyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55165586
1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137342
1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137008
3-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 115991110
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 81318651) is 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(Cc2ccc(C)cn2)C1.
What is the InChIKey of 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is YYBHUZCEKJYJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(14(18)19)7-4-8-17(11-15)10-13-6-5-12(2)9-16-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81318651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).