2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol

C12H17F3N4O — CID 102717512

IUPAC2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESNc1cc(C(F)(F)F)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(16)17-11(8-9)19-3-1-18(2-4-19)5-6-20/h7-8,20H,1-6H2,(H2,16,17)
InChIKeyNCFWBTPZXXLJKK-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.80
Rot. Bonds3

About 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol

2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 102717512) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
PubChem CID102717512
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESNc1cc(C(F)(F)F)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(16)17-11(8-9)19-3-1-18(2-4-19)5-6-20/h7-8,20H,1-6H2,(H2,16,17)
InChIKeyNCFWBTPZXXLJKK-UHFFFAOYSA-N
XLogP0.80
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 102717810
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 114566945
6-(4-ethyl-4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718426
3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide
CID 141147106
2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 59774719
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336625
2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 58563433
2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 113268082
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol (CID 102717512) is 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol is Nc1cc(C(F)(F)F)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is NCFWBTPZXXLJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(16)17-11(8-9)19-3-1-18(2-4-19)5-6-20/h7-8,20H,1-6H2,(H2,16,17).
What are the key properties of 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 290.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 102717512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).