2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine

C17H21N3O2 — CID 117230974

IUPAC2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine
SMILESCOc1ccc(-c2ncc(OCC3CCCNC3)cn2)cc1
InChIInChI=1S/C17H21N3O2/c1-21-15-6-4-14(5-7-15)17-19-10-16(11-20-17)22-12-13-3-2-8-18-9-13/h4-7,10-11,13,18H,2-3,8-9,12H2,1H3
InChIKeyPEJXJEMQEMECRR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.53
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine

2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine (PubChem CID 117230974) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine
PubChem CID117230974
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine
SMILESCOc1ccc(-c2ncc(OCC3CCCNC3)cn2)cc1
InChIInChI=1S/C17H21N3O2/c1-21-15-6-4-14(5-7-15)17-19-10-16(11-20-17)22-12-13-3-2-8-18-9-13/h4-7,10-11,13,18H,2-3,8-9,12H2,1H3
InChIKeyPEJXJEMQEMECRR-UHFFFAOYSA-N
XLogP2.53
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine (CID 117230974) is 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine is COc1ccc(-c2ncc(OCC3CCCNC3)cn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine?
The InChIKey is PEJXJEMQEMECRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-15-6-4-14(5-7-15)17-19-10-16(11-20-17)22-12-13-3-2-8-18-9-13/h4-7,10-11,13,18H,2-3,8-9,12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine?
2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine has a molecular weight of 299.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 117230974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).