4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine

C17H21N3O2 — CID 175662227

IUPAC4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine
SMILESCOc1cccc(Oc2cc(C)nc(C3CCCNC3)n2)c1
InChIInChI=1S/C17H21N3O2/c1-12-9-16(22-15-7-3-6-14(10-15)21-2)20-17(19-12)13-5-4-8-18-11-13/h3,6-7,9-10,13,18H,4-5,8,11H2,1-2H3
InChIKeyGWCCHPAUHOKPJH-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.05
Rot. Bonds4

About 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine

4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine (PubChem CID 175662227) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine
PubChem CID175662227
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine
SMILESCOc1cccc(Oc2cc(C)nc(C3CCCNC3)n2)c1
InChIInChI=1S/C17H21N3O2/c1-12-9-16(22-15-7-3-6-14(10-15)21-2)20-17(19-12)13-5-4-8-18-11-13/h3,6-7,9-10,13,18H,4-5,8,11H2,1-2H3
InChIKeyGWCCHPAUHOKPJH-UHFFFAOYSA-N
XLogP3.05
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231461
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880
5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231457
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
CID 115069993
3-(4-methoxyphenyl)piperidine
CID 12937920
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
6-methyl-2-[(3R)-piperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95816713
3-[5-(3-methylphenoxy)pyrimidin-2-yl]azepane
CID 117231462

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine?
The IUPAC name of 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine (CID 175662227) is 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine?
The canonical SMILES for 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine is COc1cccc(Oc2cc(C)nc(C3CCCNC3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine?
The InChIKey is GWCCHPAUHOKPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-9-16(22-15-7-3-6-14(10-15)21-2)20-17(19-12)13-5-4-8-18-11-13/h3,6-7,9-10,13,18H,4-5,8,11H2,1-2H3.
What are the key properties of 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine?
4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine has a molecular weight of 299.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine is sourced from PubChem (CID 175662227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).