[4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol

C18H22FN3O — CID 56749379

IUPAC[4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol
SMILESCc1ccnc(N2CCC(CO)(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H22FN3O/c1-14-5-8-20-17(21-14)22-9-6-18(13-23,7-10-22)12-15-3-2-4-16(19)11-15/h2-5,8,11,23H,6-7,9-10,12-13H2,1H3
InChIKeyPCQOGGFQQCMYML-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.75
Rot. Bonds4

About [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol

[4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol (PubChem CID 56749379) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol
PubChem CID56749379
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol
SMILESCc1ccnc(N2CCC(CO)(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H22FN3O/c1-14-5-8-20-17(21-14)22-9-6-18(13-23,7-10-22)12-15-3-2-4-16(19)11-15/h2-5,8,11,23H,6-7,9-10,12-13H2,1H3
InChIKeyPCQOGGFQQCMYML-UHFFFAOYSA-N
XLogP2.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB 239063
CID 5166
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CID 10803
4-[5-(2-Azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
CID 22464120
Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
CID 71819732
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
1-(2-Amino-4-pyrimidinyl)-3-(3-phenylpropyl)-3-piperidinemethanol
CID 56750508
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
4-[[4-[4-(Cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 67984037
4-[[2-(Butylamino)-5-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792563
trans-4-((2-(Methylamino)-5-(pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
CID 72793046
4-[[2-(Ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793047

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol (CID 56749379) is [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol is Cc1ccnc(N2CCC(CO)(Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol?
The InChIKey is PCQOGGFQQCMYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-14-5-8-20-17(21-14)22-9-6-18(13-23,7-10-22)12-15-3-2-4-16(19)11-15/h2-5,8,11,23H,6-7,9-10,12-13H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol?
[4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol has a molecular weight of 315.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 56749379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).