5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine

C18H23N3O2 — CID 139475793

IUPAC5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ccc(C2CCCN(Cc3ncc(OC)cn3)C2)cc1
InChIInChI=1S/C18H23N3O2/c1-22-16-7-5-14(6-8-16)15-4-3-9-21(12-15)13-18-19-10-17(23-2)11-20-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3
InChIKeyGWQLFEJPHNJOBA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.87
Rot. Bonds5

About 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine

5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 139475793) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID139475793
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ccc(C2CCCN(Cc3ncc(OC)cn3)C2)cc1
InChIInChI=1S/C18H23N3O2/c1-22-16-7-5-14(6-8-16)15-4-3-9-21(12-15)13-18-19-10-17(23-2)11-20-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3
InChIKeyGWQLFEJPHNJOBA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-propylpiperidine;hydrochloride
CID 70348446
2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine
CID 135105893
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 84780252
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111106170
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine
CID 139475888
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine (CID 139475793) is 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine is COc1ccc(C2CCCN(Cc3ncc(OC)cn3)C2)cc1.
What is the InChIKey of 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is GWQLFEJPHNJOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-16-7-5-14(6-8-16)15-4-3-9-21(12-15)13-18-19-10-17(23-2)11-20-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3.
What are the key properties of 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine?
5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 313.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[3-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 139475793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).