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

C13H19F3N4O — CID 97144581

IUPAC[(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCNc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)12-18-5-4-11(19-12)17-6-8-20-7-2-1-3-10(20)9-21/h4-5,10,21H,1-3,6-9H2,(H,17,18,19)/t10-/m1/s1
InChIKeySDBFMJFORSQJNT-SNVBAGLBSA-N
MW304.32 g/mol
LogP1.75
Rot. Bonds5

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

[(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (PubChem CID 97144581) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
PubChem CID97144581
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCNc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)12-18-5-4-11(19-12)17-6-8-20-7-2-1-3-10(20)9-21/h4-5,10,21H,1-3,6-9H2,(H,17,18,19)/t10-/m1/s1
InChIKeySDBFMJFORSQJNT-SNVBAGLBSA-N
XLogP1.75
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol
CID 134711273
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 134080376
[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 50965968
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 131920436
[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
CID 131906846
[1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 56909374
[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95724044
[1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
CID 134705653
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 106771022

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (CID 97144581) is [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1CCNc1ccnc(C(F)(F)F)n1.
What is the InChIKey of [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is SDBFMJFORSQJNT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)12-18-5-4-11(19-12)17-6-8-20-7-2-1-3-10(20)9-21/h4-5,10,21H,1-3,6-9H2,(H,17,18,19)/t10-/m1/s1.
What are the key properties of [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
[(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 304.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 97144581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).