1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C19H23F3N4O — CID 126470867

IUPAC1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1cc(N(C)C)nc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C19H23F3N4O/c1-13-11-16(25(2)3)24-17(23-13)26-9-7-18(27,8-10-26)14-5-4-6-15(12-14)19(20,21)22/h4-6,11-12,27H,7-10H2,1-3H3
InChIKeyCJGXQWVKTMORDY-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.36
Rot. Bonds3

About 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 126470867) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID126470867
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1cc(N(C)C)nc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C19H23F3N4O/c1-13-11-16(25(2)3)24-17(23-13)26-9-7-18(27,8-10-26)14-5-4-6-15(12-14)19(20,21)22/h4-6,11-12,27H,7-10H2,1-3H3
InChIKeyCJGXQWVKTMORDY-UHFFFAOYSA-N
XLogP3.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 126470867) is 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is Cc1cc(N(C)C)nc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is CJGXQWVKTMORDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-13-11-16(25(2)3)24-17(23-13)26-9-7-18(27,8-10-26)14-5-4-6-15(12-14)19(20,21)22/h4-6,11-12,27H,7-10H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 380.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 126470867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).