4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol

C20H27N3O — CID 16673027

IUPAC4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCCCc1ncc(CN2CCC(O)(c3ccccc3C)CC2)cn1
InChIInChI=1S/C20H27N3O/c1-3-6-19-21-13-17(14-22-19)15-23-11-9-20(24,10-12-23)18-8-5-4-7-16(18)2/h4-5,7-8,13-14,24H,3,6,9-12,15H2,1-2H3
InChIKeyUCDOLHJHKGPGEE-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.22
Rot. Bonds5

About 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol

4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 16673027) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID16673027
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCCCc1ncc(CN2CCC(O)(c3ccccc3C)CC2)cn1
InChIInChI=1S/C20H27N3O/c1-3-6-19-21-13-17(14-22-19)15-23-11-9-20(24,10-12-23)18-8-5-4-7-16(18)2/h4-5,7-8,13-14,24H,3,6,9-12,15H2,1-2H3
InChIKeyUCDOLHJHKGPGEE-UHFFFAOYSA-N
XLogP3.22
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 16673027) is 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol is CCCc1ncc(CN2CCC(O)(c3ccccc3C)CC2)cn1.
What is the InChIKey of 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is UCDOLHJHKGPGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-6-19-21-13-17(14-22-19)15-23-11-9-20(24,10-12-23)18-8-5-4-7-16(18)2/h4-5,7-8,13-14,24H,3,6,9-12,15H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol?
4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 325.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 16673027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).