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

C13H19F3N4O — CID 72914637

IUPAC[1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNc1ccnc(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)
InChIKeySDBFMJFORSQJNT-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.75
Rot. Bonds5

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

[1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (PubChem CID 72914637) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
PubChem CID72914637
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNc1ccnc(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)
InChIKeySDBFMJFORSQJNT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (CID 72914637) is [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCNc1ccnc(C(F)(F)F)n1.
What is the InChIKey of [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is SDBFMJFORSQJNT-UHFFFAOYSA-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).
What are the key properties of [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
[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 [1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 72914637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).