4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid

C11H15N3O2 — CID 114422310

IUPAC4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid
SMILESCC1CCN(c2ccncn2)C(C(=O)O)C1
InChIInChI=1S/C11H15N3O2/c1-8-3-5-14(9(6-8)11(15)16)10-2-4-12-7-13-10/h2,4,7-9H,3,5-6H2,1H3,(H,15,16)
InChIKeyGPYBIOJVNBKPRW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.17
Rot. Bonds2

About 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid

4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid (PubChem CID 114422310) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid
PubChem CID114422310
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid
SMILESCC1CCN(c2ccncn2)C(C(=O)O)C1
InChIInChI=1S/C11H15N3O2/c1-8-3-5-14(9(6-8)11(15)16)10-2-4-12-7-13-10/h2,4,7-9H,3,5-6H2,1H3,(H,15,16)
InChIKeyGPYBIOJVNBKPRW-UHFFFAOYSA-N
XLogP1.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422399
4-methyl-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-2-carboxylic acid
CID 114422197
1-(4-cyano-2-pyridinyl)-4-methylpiperidine-2-carboxylic acid
CID 114422351
2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine
CID 130558111
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
4-methyl-1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114422330
5-methyl-1-pyrimidin-4-ylpiperidin-3-ol
CID 130802853
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422241
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422339
1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426538
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 136972432
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid (CID 114422310) is 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid is CC1CCN(c2ccncn2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid?
The InChIKey is GPYBIOJVNBKPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-3-5-14(9(6-8)11(15)16)10-2-4-12-7-13-10/h2,4,7-9H,3,5-6H2,1H3,(H,15,16).
What are the key properties of 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid?
4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114422310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).