[6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C19H22F3N3O — CID 148615143

IUPAC[6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNCCc1ccc2cc(C(=O)N3CCN(CC(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)13-24-7-9-25(10-8-24)18(26)17-4-3-15-11-14(5-6-23)1-2-16(15)12-17/h1-4,11-12H,5-10,13,23H2
InChIKeyNFDPLSPBRFHBRN-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.66
Rot. Bonds4

About [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

[6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 148615143) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID148615143
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name[6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNCCc1ccc2cc(C(=O)N3CCN(CC(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)13-24-7-9-25(10-8-24)18(26)17-4-3-15-11-14(5-6-23)1-2-16(15)12-17/h1-4,11-12H,5-10,13,23H2
InChIKeyNFDPLSPBRFHBRN-UHFFFAOYSA-N
XLogP2.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-aminophenyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119844309
(6-fluoro-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63979493
[3-iodo-4-(2,2,2-trifluoroethoxy)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 172647602
(4-prop-2-ynoxyphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 122142328
[4-(imidazol-1-ylmethyl)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346774
[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 146407864
4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzoic acid;dihydrochloride
CID 139211314
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982
(4-chloro-2-iodophenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 99467417
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847

Frequently Asked Questions

What is the IUPAC name of [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 148615143) is [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is NCCc1ccc2cc(C(=O)N3CCN(CC(F)(F)F)CC3)ccc2c1.
What is the InChIKey of [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is NFDPLSPBRFHBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c20-19(21,22)13-24-7-9-25(10-8-24)18(26)17-4-3-15-11-14(5-6-23)1-2-16(15)12-17/h1-4,11-12H,5-10,13,23H2.
What are the key properties of [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 365.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 148615143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).