2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol

C12H16F3N3O2 — CID 133488124

IUPAC2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)20-10-1-2-11(16-9-10)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2
InChIKeyXDCPABCPPGCDMZ-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.09
Rot. Bonds4

About 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol

2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 133488124) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
PubChem CID133488124
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)20-10-1-2-11(16-9-10)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2
InChIKeyXDCPABCPPGCDMZ-UHFFFAOYSA-N
XLogP1.09
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 167756362
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 133489362
2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
CID 11972047
(2-amino-2-oxoethyl) N-[2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 123162350
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 86816281
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218
7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 133488827
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
2-[6-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-pyridinyl]acetaldehyde
CID 121404733

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol (CID 133488124) is 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(OC(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is XDCPABCPPGCDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)20-10-1-2-11(16-9-10)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2.
What are the key properties of 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 291.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 133488124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).