2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol

C14H21F3N4O — CID 56865786

IUPAC2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol
SMILESCN1CCN(c2nccc(CCC(F)(F)F)n2)CC1CCO
InChIInChI=1S/C14H21F3N4O/c1-20-7-8-21(10-12(20)4-9-22)13-18-6-3-11(19-13)2-5-14(15,16)17/h3,6,12,22H,2,4-5,7-10H2,1H3
InChIKeyUXLRGYWWKMXYOP-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.47
Rot. Bonds5

About 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol

2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol (PubChem CID 56865786) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol
PubChem CID56865786
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol
SMILESCN1CCN(c2nccc(CCC(F)(F)F)n2)CC1CCO
InChIInChI=1S/C14H21F3N4O/c1-20-7-8-21(10-12(20)4-9-22)13-18-6-3-11(19-13)2-5-14(15,16)17/h3,6,12,22H,2,4-5,7-10H2,1H3
InChIKeyUXLRGYWWKMXYOP-UHFFFAOYSA-N
XLogP1.47
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol (CID 56865786) is 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol is CN1CCN(c2nccc(CCC(F)(F)F)n2)CC1CCO.
What is the InChIKey of 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol?
The InChIKey is UXLRGYWWKMXYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-20-7-8-21(10-12(20)4-9-22)13-18-6-3-11(19-13)2-5-14(15,16)17/h3,6,12,22H,2,4-5,7-10H2,1H3.
What are the key properties of 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol has a molecular weight of 318.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 56865786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).