4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine

C18H23N3O2 — CID 70708834

IUPAC4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine
SMILESCOc1ccccc1OC1CCN(c2ncnc(C)c2C)CC1
InChIInChI=1S/C18H23N3O2/c1-13-14(2)19-12-20-18(13)21-10-8-15(9-11-21)23-17-7-5-4-6-16(17)22-3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyRIGVNAUYUUWUES-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.15
Rot. Bonds4

About 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine

4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine (PubChem CID 70708834) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine
PubChem CID70708834
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine
SMILESCOc1ccccc1OC1CCN(c2ncnc(C)c2C)CC1
InChIInChI=1S/C18H23N3O2/c1-13-14(2)19-12-20-18(13)21-10-8-15(9-11-21)23-17-7-5-4-6-16(17)22-3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyRIGVNAUYUUWUES-UHFFFAOYSA-N
XLogP3.15
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[4-(2-methoxyphenoxy)piperidin-1-yl]-6-methylpyridine
CID 146038169
4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine
CID 135154118
1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135104601
4,5-dimethyl-6-[4-[4-(4-phenylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 155976322
1-(4-bromocyclohexyl)oxy-2-methoxybenzene
CID 174500132
4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140409
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
N-cyclopropyl-3-[4-(2-methoxyphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308534
1-(5-methoxy-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 83838867
4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine
CID 130543437
5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine
CID 138005559

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine (CID 70708834) is 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine is COc1ccccc1OC1CCN(c2ncnc(C)c2C)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine?
The InChIKey is RIGVNAUYUUWUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-14(2)19-12-20-18(13)21-10-8-15(9-11-21)23-17-7-5-4-6-16(17)22-3/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine?
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine has a molecular weight of 313.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 70708834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).