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

C11H14F3N3O — CID 26986145

IUPAC[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-1-4-15-10(16-9)17-5-2-8(7-18)3-6-17/h1,4,8,18H,2-3,5-7H2
InChIKeyMUGMOWSJXRECDC-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.70
Rot. Bonds2

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

[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 26986145) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID26986145
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-1-4-15-10(16-9)17-5-2-8(7-18)3-6-17/h1,4,8,18H,2-3,5-7H2
InChIKeyMUGMOWSJXRECDC-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid
CID 2777798
{3-(Cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 70721153
3-(Piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 70767573
1-(4-Methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 23607535
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
4,4,4-Trifluoro-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1-piperidyl]butan-1-one
CID 137509203
1-{1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}propan-1-one
CID 56593014
2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133907881
2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazino}ethan-1-ol
CID 2795979
4-[4-(Trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2809218

Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol (CID 26986145) is [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is MUGMOWSJXRECDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-1-4-15-10(16-9)17-5-2-8(7-18)3-6-17/h1,4,8,18H,2-3,5-7H2.
What are the key properties of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 261.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 26986145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).