3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid

C14H20N2O2 — CID 65068572

IUPAC3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
SMILESCC(c1ccncc1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-11(12-4-7-15-8-5-12)16-9-3-6-14(2,10-16)13(17)18/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,18)
InChIKeyDASPLAJGAQOLHY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.33
Rot. Bonds3

About 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid

3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid (PubChem CID 65068572) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
PubChem CID65068572
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
SMILESCC(c1ccncc1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-11(12-4-7-15-8-5-12)16-9-3-6-14(2,10-16)13(17)18/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,18)
InChIKeyDASPLAJGAQOLHY-UHFFFAOYSA-N
XLogP2.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064030
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204
3-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064359
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068532
2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid
CID 65070819
1-[1-(2,4-dihydroxyphenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068577
3-methyl-1-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 122046195
1-[1-(4-ethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064258
3-methyl-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 63134016
1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 82973699
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65069205

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid (CID 65068572) is 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid is CC(c1ccncc1)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid?
The InChIKey is DASPLAJGAQOLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(12-4-7-15-8-5-12)16-9-3-6-14(2,10-16)13(17)18/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid?
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65068572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).