1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid

C12H16N2O2 — CID 16795673

IUPAC1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCc1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C12H16N2O2/c1-9-2-3-11(13-8-9)14-6-4-10(5-7-14)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKeyQUAOLILOJUFFCQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.69
Rot. Bonds2

About 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid

1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 16795673) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID16795673
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCc1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C12H16N2O2/c1-9-2-3-11(13-8-9)14-6-4-10(5-7-14)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKeyQUAOLILOJUFFCQ-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanoic acid
CID 735783
1-(3-Cyanopyridin-2-yl)piperidine-4-carboxamide
CID 2813162
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 2821933
1-(Pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 2761157
4-Oxo-4-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}butanoic acid
CID 2741588
1-Piperazinepropionic acid, 4-(2-pyridinyl)-
CID 6485183
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
CID 2777788
(6-Aminopyridin-3-yl)acetic acid
CID 12562075
(1-(Pyridin-2-yl)piperidin-4-yl)methanol
CID 10774127
1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide
CID 6469269
1-(Pyridin-3-ylmethyl)piperidine-4-carboxylic acid;hydrochloride
CID 16192964
2-[3-[4-(Trifluoromethyl)pyridin-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 73777174

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid (CID 16795673) is 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid is Cc1ccc(N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is QUAOLILOJUFFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-2-3-11(13-8-9)14-6-4-10(5-7-14)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16).
What are the key properties of 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid?
1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16795673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).