[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol

C13H18F3N3O — CID 80628715

IUPAC[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O/c1-10-6-11(8-20)7-17-12(10)19-4-2-18(3-5-19)9-13(14,15)16/h6-7,20H,2-5,8-9H2,1H3
InChIKeyMNLRRGCBDMOWFO-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.57
Rot. Bonds3

About [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol

[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol (PubChem CID 80628715) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
PubChem CID80628715
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O/c1-10-6-11(8-20)7-17-12(10)19-4-2-18(3-5-19)9-13(14,15)16/h6-7,20H,2-5,8-9H2,1H3
InChIKeyMNLRRGCBDMOWFO-UHFFFAOYSA-N
XLogP1.57
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol (CID 80628715) is [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol is Cc1cc(CO)cnc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol?
The InChIKey is MNLRRGCBDMOWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-10-6-11(8-20)7-17-12(10)19-4-2-18(3-5-19)9-13(14,15)16/h6-7,20H,2-5,8-9H2,1H3.
What are the key properties of [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol?
[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol has a molecular weight of 289.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 80628715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).