[4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol

C17H21N3O — CID 95825445

IUPAC[4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol
SMILESCc1nc(-c2ccc(CO)cc2)cc(C2CCNCC2)n1
InChIInChI=1S/C17H21N3O/c1-12-19-16(14-4-2-13(11-21)3-5-14)10-17(20-12)15-6-8-18-9-7-15/h2-5,10,15,18,21H,6-9,11H2,1H3
InChIKeyKLTIPXRIPMUDOV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds3

About [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol

[4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol (PubChem CID 95825445) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol
PubChem CID95825445
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol
SMILESCc1nc(-c2ccc(CO)cc2)cc(C2CCNCC2)n1
InChIInChI=1S/C17H21N3O/c1-12-19-16(14-4-2-13(11-21)3-5-14)10-17(20-12)15-6-8-18-9-7-15/h2-5,10,15,18,21H,6-9,11H2,1H3
InChIKeyKLTIPXRIPMUDOV-UHFFFAOYSA-N
XLogP2.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol?
The IUPAC name of [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol (CID 95825445) is [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol.
What is the SMILES notation for [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol?
The canonical SMILES for [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol is Cc1nc(-c2ccc(CO)cc2)cc(C2CCNCC2)n1.
What is the InChIKey of [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol?
The InChIKey is KLTIPXRIPMUDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-19-16(14-4-2-13(11-21)3-5-14)10-17(20-12)15-6-8-18-9-7-15/h2-5,10,15,18,21H,6-9,11H2,1H3.
What are the key properties of [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol?
[4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol has a molecular weight of 283.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 95825445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).