methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate

C13H19N3O2 — CID 62771827

IUPACmethyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1ccnc(C)n1
InChIInChI=1S/C13H19N3O2/c1-10-14-7-6-12(15-10)16-8-4-3-5-11(16)9-13(17)18-2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyQHRCPGLREWGMPV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.71
Rot. Bonds3

About methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate

methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 62771827) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID62771827
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1ccnc(C)n1
InChIInChI=1S/C13H19N3O2/c1-10-14-7-6-12(15-10)16-8-4-3-5-11(16)9-13(17)18-2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyQHRCPGLREWGMPV-UHFFFAOYSA-N
XLogP1.71
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
methyl 2-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]acetate
CID 63587218
methyl 2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]acetate
CID 83063502
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
methyl 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetate
CID 64585502
1-(2-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 110269417
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 138030149
methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate
CID 83126327
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate
CID 66287123

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate (CID 62771827) is methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1ccnc(C)n1.
What is the InChIKey of methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is QHRCPGLREWGMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-14-7-6-12(15-10)16-8-4-3-5-11(16)9-13(17)18-2/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 62771827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).