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

C16H19N3O2 — CID 117231461

IUPAC5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
SMILESCOc1cccc(Oc2cnc(C3CCCNC3)nc2)c1
InChIInChI=1S/C16H19N3O2/c1-20-13-5-2-6-14(8-13)21-15-10-18-16(19-11-15)12-4-3-7-17-9-12/h2,5-6,8,10-12,17H,3-4,7,9H2,1H3
InChIKeyCBROAZVDDAJGHY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.74
Rot. Bonds4

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

5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine (PubChem CID 117231461) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
PubChem CID117231461
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
SMILESCOc1cccc(Oc2cnc(C3CCCNC3)nc2)c1
InChIInChI=1S/C16H19N3O2/c1-20-13-5-2-6-14(8-13)21-15-10-18-16(19-11-15)12-4-3-7-17-9-12/h2,5-6,8,10-12,17H,3-4,7,9H2,1H3
InChIKeyCBROAZVDDAJGHY-UHFFFAOYSA-N
XLogP2.74
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231457
3-[5-(3-methylphenoxy)pyrimidin-2-yl]azepane
CID 117231462
4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine
CID 175662227
5-(2-fluorophenoxy)-2-piperidin-3-ylpyrimidine
CID 117231387
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
3-(4-methoxyphenyl)piperidine
CID 12937920
2-piperidin-3-ylpyrimidin-5-ol
CID 117231651
5-(3-methoxyphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061350
2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
CID 115069993
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026122
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine?
The IUPAC name of 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine (CID 117231461) is 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine.
What is the SMILES notation for 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine?
The canonical SMILES for 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine is COc1cccc(Oc2cnc(C3CCCNC3)nc2)c1.
What is the InChIKey of 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine?
The InChIKey is CBROAZVDDAJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-13-5-2-6-14(8-13)21-15-10-18-16(19-11-15)12-4-3-7-17-9-12/h2,5-6,8,10-12,17H,3-4,7,9H2,1H3.
What are the key properties of 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine?
5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine has a molecular weight of 285.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine is sourced from PubChem (CID 117231461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).