2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine

C12H19N3O — CID 133310053

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
SMILESCOCC1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C12H19N3O/c1-10-5-6-13-12(14-10)15-7-3-4-11(8-15)9-16-2/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyXEMJHPBVMBNEBU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds3

About 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine

2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine (PubChem CID 133310053) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
PubChem CID133310053
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
SMILESCOCC1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C12H19N3O/c1-10-5-6-13-12(14-10)15-7-3-4-11(8-15)9-16-2/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyXEMJHPBVMBNEBU-UHFFFAOYSA-N
XLogP1.65
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine
CID 106585802
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
CID 123999488
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine (CID 133310053) is 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine is COCC1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine?
The InChIKey is XEMJHPBVMBNEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-5-6-13-12(14-10)15-7-3-4-11(8-15)9-16-2/h5-6,11H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine?
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine has a molecular weight of 221.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 133310053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).