2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid

C14H21N3O2 — CID 106742662

IUPAC2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1cc(N2CCC(C(=O)O)CC2C)ncn1
InChIInChI=1S/C14H21N3O2/c1-9(2)12-7-13(16-8-15-12)17-5-4-11(14(18)19)6-10(17)3/h7-11H,4-6H2,1-3H3,(H,18,19)
InChIKeyBXCHZEJKUHHQLY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds3

About 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid

2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 106742662) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID106742662
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1cc(N2CCC(C(=O)O)CC2C)ncn1
InChIInChI=1S/C14H21N3O2/c1-9(2)12-7-13(16-8-15-12)17-5-4-11(14(18)19)6-10(17)3/h7-11H,4-6H2,1-3H3,(H,18,19)
InChIKeyBXCHZEJKUHHQLY-UHFFFAOYSA-N
XLogP2.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422399
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
4-(6-propan-2-ylpyrimidin-4-yl)thiomorpholine-3-carboxylic acid
CID 82904493
1-[6-(difluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 126849074
3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216303
1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 106742528
tert-butyl (3R)-3-methyl-4-(6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849469
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
4-(3-chloro-4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
CID 102960858
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 106742662) is 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is CC(C)c1cc(N2CCC(C(=O)O)CC2C)ncn1.
What is the InChIKey of 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is BXCHZEJKUHHQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)12-7-13(16-8-15-12)17-5-4-11(14(18)19)6-10(17)3/h7-11H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106742662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).