5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine

C16H19N3O — CID 117231457

IUPAC5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
SMILESCc1cccc(Oc2cnc(C3CCCNC3)nc2)c1
InChIInChI=1S/C16H19N3O/c1-12-4-2-6-14(8-12)20-15-10-18-16(19-11-15)13-5-3-7-17-9-13/h2,4,6,8,10-11,13,17H,3,5,7,9H2,1H3
InChIKeyOSRWLZNBUQOJMX-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.04
Rot. Bonds3

About 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine

5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine (PubChem CID 117231457) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
PubChem CID117231457
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
SMILESCc1cccc(Oc2cnc(C3CCCNC3)nc2)c1
InChIInChI=1S/C16H19N3O/c1-12-4-2-6-14(8-12)20-15-10-18-16(19-11-15)13-5-3-7-17-9-13/h2,4,6,8,10-11,13,17H,3,5,7,9H2,1H3
InChIKeyOSRWLZNBUQOJMX-UHFFFAOYSA-N
XLogP3.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-methylphenoxy)pyrimidin-2-yl]azepane
CID 117231462
5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231461
5-(2-fluorophenoxy)-2-piperidin-3-ylpyrimidine
CID 117231387
1-[5-(3-methylphenoxy)pyrimidin-2-yl]-1,4-diazepane
CID 117224594
4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine
CID 175662227
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-piperidin-3-ylpyrimidin-5-ol
CID 117231651
2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595656
2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
CID 118760474
3-(2,4-dimethylphenyl)piperidine
CID 10535662
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine?
The IUPAC name of 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine (CID 117231457) is 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine.
What is the SMILES notation for 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine?
The canonical SMILES for 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine is Cc1cccc(Oc2cnc(C3CCCNC3)nc2)c1.
What is the InChIKey of 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine?
The InChIKey is OSRWLZNBUQOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-2-6-14(8-12)20-15-10-18-16(19-11-15)13-5-3-7-17-9-13/h2,4,6,8,10-11,13,17H,3,5,7,9H2,1H3.
What are the key properties of 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine?
5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine has a molecular weight of 269.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine is sourced from PubChem (CID 117231457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).