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

C11H14F3N3O — CID 122476904

IUPAC[6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol
SMILESOCc1cc(N2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10-15-8(7-18)6-9(16-10)17-4-2-1-3-5-17/h6,18H,1-5,7H2
InChIKeyWUNWGKPQPIJEEZ-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.98
Rot. Bonds2

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

[6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol (PubChem CID 122476904) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol
PubChem CID122476904
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name[6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol
SMILESOCc1cc(N2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10-15-8(7-18)6-9(16-10)17-4-2-1-3-5-17/h6,18H,1-5,7H2
InChIKeyWUNWGKPQPIJEEZ-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol
CID 58336174
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
(6-piperidin-1-ylpyrazin-2-yl)methanol
CID 66468187
[6-(azocan-1-yl)-2-pyridinyl]methanol
CID 62253750
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
[2-(azocan-1-yl)-6-methyl-4-pyridinyl]methanol
CID 113378723
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
tert-butyl N-[[1-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate
CID 145433487
4-(azetidin-1-yl)-6-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 145433592
4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 135231331
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928

Frequently Asked Questions

What is the IUPAC name of [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol?
The IUPAC name of [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol (CID 122476904) is [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol is OCc1cc(N2CCCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol?
The InChIKey is WUNWGKPQPIJEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)10-15-8(7-18)6-9(16-10)17-4-2-1-3-5-17/h6,18H,1-5,7H2.
What are the key properties of [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol?
[6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol has a molecular weight of 261.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 122476904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).