4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine

C18H23N3O2 — CID 75358366

IUPAC4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine
SMILESCOc1cccc(COc2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C18H23N3O2/c1-14-11-17(20-18(19-14)21-9-4-3-5-10-21)23-13-15-7-6-8-16(12-15)22-2/h6-8,11-12H,3-5,9-10,13H2,1-2H3
InChIKeySGFMPKJIYCQDJZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.36
Rot. Bonds5

About 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine

4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine (PubChem CID 75358366) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine
PubChem CID75358366
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine
SMILESCOc1cccc(COc2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C18H23N3O2/c1-14-11-17(20-18(19-14)21-9-4-3-5-10-21)23-13-15-7-6-8-16(12-15)22-2/h6-8,11-12H,3-5,9-10,13H2,1-2H3
InChIKeySGFMPKJIYCQDJZ-UHFFFAOYSA-N
XLogP3.36
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 95922752
4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 95922877
2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95923139
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46391547
2-(3-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95922512
N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834863
3-(3-fluorophenyl)-5-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-1,2,4-oxadiazole
CID 95922826
4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine
CID 95923309
1-(3-methoxyphenyl)azepane
CID 57276431
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 154580901
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine (CID 75358366) is 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine is COc1cccc(COc2cc(C)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine?
The InChIKey is SGFMPKJIYCQDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-11-17(20-18(19-14)21-9-4-3-5-10-21)23-13-15-7-6-8-16(12-15)22-2/h6-8,11-12H,3-5,9-10,13H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine?
4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine has a molecular weight of 313.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 75358366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).