1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol

C18H23FN4O — CID 16674114

IUPAC1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESCN(C)c1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1
InChIInChI=1S/C18H23FN4O/c1-22(2)17-20-11-14(12-21-17)13-23-9-7-18(24,8-10-23)15-5-3-4-6-16(15)19/h3-6,11-12,24H,7-10,13H2,1-2H3
InChIKeyVTKOYDPTDGIPHN-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.17
Rot. Bonds4

About 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol

1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 16674114) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID16674114
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESCN(C)c1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1
InChIInChI=1S/C18H23FN4O/c1-22(2)17-20-11-14(12-21-17)13-23-9-7-18(24,8-10-23)15-5-3-4-6-16(15)19/h3-6,11-12,24H,7-10,13H2,1-2H3
InChIKeyVTKOYDPTDGIPHN-UHFFFAOYSA-N
XLogP2.17
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol (CID 16674114) is 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol is CN(C)c1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is VTKOYDPTDGIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22(2)17-20-11-14(12-21-17)13-23-9-7-18(24,8-10-23)15-5-3-4-6-16(15)19/h3-6,11-12,24H,7-10,13H2,1-2H3.
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 330.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 16674114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).