7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole

C15H20F3N3 — CID 114327215

IUPAC7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESFC(F)(F)CN1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)11-21-8-6-20(7-9-21)10-13-3-1-2-12-4-5-19-14(12)13/h1-3,19H,4-11H2
InChIKeyPWOPXBNEBYJRCO-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.33
Rot. Bonds3

About 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole

7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole (PubChem CID 114327215) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
PubChem CID114327215
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESFC(F)(F)CN1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)11-21-8-6-20(7-9-21)10-13-3-1-2-12-4-5-19-14(12)13/h1-3,19H,4-11H2
InChIKeyPWOPXBNEBYJRCO-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 120857043
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 114327008
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
7-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120847704

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole (CID 114327215) is 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole is FC(F)(F)CN1CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole?
The InChIKey is PWOPXBNEBYJRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c16-15(17,18)11-21-8-6-20(7-9-21)10-13-3-1-2-12-4-5-19-14(12)13/h1-3,19H,4-11H2.
What are the key properties of 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole?
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole has a molecular weight of 299.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114327215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).