4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol

C17H21N3O2 — CID 99808936

IUPAC4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol
SMILESCOc1cc(C)nc(N2CCC(c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C17H21N3O2/c1-12-11-16(22-2)19-17(18-12)20-9-7-14(8-10-20)13-3-5-15(21)6-4-13/h3-6,11,14,21H,7-10H2,1-2H3
InChIKeyVOYDEPILHALIJS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.88
Rot. Bonds3

About 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol

4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol (PubChem CID 99808936) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol
PubChem CID99808936
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol
SMILESCOc1cc(C)nc(N2CCC(c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C17H21N3O2/c1-12-11-16(22-2)19-17(18-12)20-9-7-14(8-10-20)13-3-5-15(21)6-4-13/h3-6,11,14,21H,7-10H2,1-2H3
InChIKeyVOYDEPILHALIJS-UHFFFAOYSA-N
XLogP2.88
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol?
The IUPAC name of 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol (CID 99808936) is 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol is COc1cc(C)nc(N2CCC(c3ccc(O)cc3)CC2)n1.
What is the InChIKey of 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol?
The InChIKey is VOYDEPILHALIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-11-16(22-2)19-17(18-12)20-9-7-14(8-10-20)13-3-5-15(21)6-4-13/h3-6,11,14,21H,7-10H2,1-2H3.
What are the key properties of 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol?
4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol has a molecular weight of 299.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol is sourced from PubChem (CID 99808936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).