1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine

C14H17F3N2O — CID 70922738

IUPAC1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESFC(F)(F)c1ccc2c(c1)C(N1CCNCC1)CCO2
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-13-11(9-10)12(3-8-20-13)19-6-4-18-5-7-19/h1-2,9,12,18H,3-8H2
InChIKeyNRISJXNLESJHRZ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.43
Rot. Bonds1

About 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine

1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine (PubChem CID 70922738) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
PubChem CID70922738
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESFC(F)(F)c1ccc2c(c1)C(N1CCNCC1)CCO2
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-13-11(9-10)12(3-8-20-13)19-6-4-18-5-7-19/h1-2,9,12,18H,3-8H2
InChIKeyNRISJXNLESJHRZ-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CP-100263
CID 9796216
CP-99994
CID 5311057
CJ-17493
CID 11327981
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
1-(2-(2-(Difluoromethoxy)phenyl)-1-phenylethyl)piperazine (enantiomeric mix)
CID 46890395
1-(1-(2-Fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine (enantiomeric mix)
CID 46890492
1-(1-(4-Fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine (enantiomeric mix)
CID 46890532
(2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 105083
(2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 9945487
((2S,3S)-2-Phenyl-piperidin-3-yl)-(2-trifluoromethoxy-benzyl)-amine
CID 9968267
(2-Ethoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10111225

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The IUPAC name of 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine (CID 70922738) is 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine.
What is the SMILES notation for 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The canonical SMILES for 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine is FC(F)(F)c1ccc2c(c1)C(N1CCNCC1)CCO2.
What is the InChIKey of 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The InChIKey is NRISJXNLESJHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-13-11(9-10)12(3-8-20-13)19-6-4-18-5-7-19/h1-2,9,12,18H,3-8H2.
What are the key properties of 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine has a molecular weight of 286.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine is sourced from PubChem (CID 70922738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).