1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine

C16H21F3N2O2 — CID 171170564

IUPAC1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
SMILESFC(F)(F)CC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)4-3-13(21-7-5-20-6-8-21)12-1-2-14-15(11-12)23-10-9-22-14/h1-2,11,13,20H,3-10H2/t13-/m1/s1
InChIKeyMNRWREIOJMFPKX-CYBMUJFWSA-N
MW330.35 g/mol
LogP2.75
Rot. Bonds4

About 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine

1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine (PubChem CID 171170564) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
PubChem CID171170564
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
SMILESFC(F)(F)CC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)4-3-13(21-7-5-20-6-8-21)12-1-2-14-15(11-12)23-10-9-22-14/h1-2,11,13,20H,3-10H2/t13-/m1/s1
InChIKeyMNRWREIOJMFPKX-CYBMUJFWSA-N
XLogP2.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
CID 171310993
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
1-[(1S)-1-(1,3-benzodioxol-5-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171297096
1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
CID 171297110
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine
CID 171172857
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1S)-1-(3,4-dibromophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303163
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172858
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
CID 171168796
1-[(1S)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163352
1-[(1S)-1-(1,3-benzodioxol-5-yl)-3-methylbutyl]piperazine
CID 95479287
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine (CID 171170564) is 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine is FC(F)(F)CC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine?
The InChIKey is MNRWREIOJMFPKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)4-3-13(21-7-5-20-6-8-21)12-1-2-14-15(11-12)23-10-9-22-14/h1-2,11,13,20H,3-10H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine?
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine has a molecular weight of 330.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine is sourced from PubChem (CID 171170564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).