4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol

C16H19N3O — CID 95811440

IUPAC4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H19N3O/c1-13-3-5-14(6-4-13)16(20)7-11-19(12-8-16)15-17-9-2-10-18-15/h2-6,9-10,20H,7-8,11-12H2,1H3
InChIKeyHJWMXXNBAVGNNZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.27
Rot. Bonds2

About 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol

4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol (PubChem CID 95811440) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
PubChem CID95811440
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H19N3O/c1-13-3-5-14(6-4-13)16(20)7-11-19(12-8-16)15-17-9-2-10-18-15/h2-6,9-10,20H,7-8,11-12H2,1H3
InChIKeyHJWMXXNBAVGNNZ-UHFFFAOYSA-N
XLogP2.27
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol
CID 139008893
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
3-(4-methylphenyl)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidin-3-ol
CID 46977107
4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
CID 56693229
3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol
CID 133487482
(2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9427598
1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 126851853
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816
N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide
CID 17429033
(E)-3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 896401

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol?
The IUPAC name of 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol (CID 95811440) is 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol is Cc1ccc(C2(O)CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol?
The InChIKey is HJWMXXNBAVGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-3-5-14(6-4-13)16(20)7-11-19(12-8-16)15-17-9-2-10-18-15/h2-6,9-10,20H,7-8,11-12H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol?
4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol has a molecular weight of 269.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol is sourced from PubChem (CID 95811440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).