[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol

C13H19F3N4O — CID 60504432

IUPAC[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H19F3N4O/c1-19(2)11-7-10(13(14,15)16)17-12(18-11)20-5-3-9(8-21)4-6-20/h7,9,21H,3-6,8H2,1-2H3
InChIKeyDNKGUGOXMRLLTB-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.77
Rot. Bonds3

About [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol

[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 60504432) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID60504432
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H19F3N4O/c1-19(2)11-7-10(13(14,15)16)17-12(18-11)20-5-3-9(8-21)4-6-20/h7,9,21H,3-6,8H2,1-2H3
InChIKeyDNKGUGOXMRLLTB-UHFFFAOYSA-N
XLogP1.77
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.77
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-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol (CID 60504432) is [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol is CN(C)c1cc(C(F)(F)F)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is DNKGUGOXMRLLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-19(2)11-7-10(13(14,15)16)17-12(18-11)20-5-3-9(8-21)4-6-20/h7,9,21H,3-6,8H2,1-2H3.
What are the key properties of [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 304.32 g/mol, XLogP of 1.77, 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-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 60504432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).