4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL

C16H18FN3O — CID 72851395

IUPAC4-(4-fluorophenyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
SMILESCC1=NC(=NC=C1)N2CCC(CC2)(C3=CC=C(C=C3)F)O
InChIInChI=1S/C16H18FN3O/c1-12-6-9-18-15(19-12)20-10-7-16(21,8-11-20)13-2-4-14(17)5-3-13/h2-6,9,21H,7-8,10-11H2,1H3
InChIKeyYZDLPLDXVOUWBZ-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.30
Rot. Bonds2

About 4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL

4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL (PubChem CID 72851395) has the molecular formula C16H18FN3O and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL
PubChem CID72851395
Molecular FormulaC16H18FN3O
Molecular Weight287.33 g/mol
Exact Mass287.14
IUPAC Name4-(4-fluorophenyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
SMILESCC1=NC(=NC=C1)N2CCC(CC2)(C3=CC=C(C=C3)F)O
InChIInChI=1S/C16H18FN3O/c1-12-6-9-18-15(19-12)20-10-7-16(21,8-11-20)13-2-4-14(17)5-3-13/h2-6,9,21H,7-8,10-11H2,1H3
InChIKeyYZDLPLDXVOUWBZ-UHFFFAOYSA-N
XLogP2.30
TPSA49.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity338

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bmy-14802
CID 108046
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
(R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 6604868
1,1-Bis-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 10321125
6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-(pyrimidin-4-yl)pyridin-2(1H)-one
CID 46871676
2-(4-(2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)phenyl)propan-2-ol
CID 52950142
3-(4-Fluorophenyl)-8-(6-methyl-2-phenylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 653235
1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10002462
2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentan-2-ol
CID 10021536
1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-propan-1-ol
CID 10404634
3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-hexan-3-ol
CID 10407185
3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-1-yl)-hexan-3-ol
CID 10428490

Frequently Asked Questions

What is the IUPAC name of 4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL?
The IUPAC name of 4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL (CID 72851395) is 4-(4-fluorophenyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL?
The canonical SMILES for 4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL is CC1=NC(=NC=C1)N2CCC(CC2)(C3=CC=C(C=C3)F)O.
What is the InChIKey of 4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL?
The InChIKey is YZDLPLDXVOUWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12-6-9-18-15(19-12)20-10-7-16(21,8-11-20)13-2-4-14(17)5-3-13/h2-6,9,21H,7-8,10-11H2,1H3.
What are the key properties of 4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL?
4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL has a molecular weight of 287.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL is sourced from PubChem (CID 72851395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).