2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C15H21F3N2O — CID 64846826

IUPAC2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESFC(F)(F)COCCN1CCNCC1Cc1ccccc1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)12-21-9-8-20-7-6-19-11-14(20)10-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2
InChIKeyGIVKBFMHROHQAC-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.08
Rot. Bonds6

About 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64846826) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64846826
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESFC(F)(F)COCCN1CCNCC1Cc1ccccc1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)12-21-9-8-20-7-6-19-11-14(20)10-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2
InChIKeyGIVKBFMHROHQAC-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-(2-ethoxyethyl)piperazine
CID 64845833
2-benzyl-1-(3-fluoropropyl)piperazine
CID 81114655
4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine
CID 82250577
2-benzyl-1-(2-methylsulfonylethyl)piperazine
CID 64846831
2-benzyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 82248534
2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine
CID 107901402
2-benzyl-1-(2-phenylethyl)-1,4-diazepane
CID 82251349
4-[(2-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414062
4-[[(2S)-2-benzylpiperazin-1-yl]methyl]benzoic acid
CID 45072762
1,5-bis[2-[(4-phenylphenyl)methyl]piperazin-1-yl]pentan-3-one
CID 174487424
(2R)-2-benzyl-1-methylsulfonylpiperazine
CID 94990746
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64846826) is 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is FC(F)(F)COCCN1CCNCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is GIVKBFMHROHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)12-21-9-8-20-7-6-19-11-14(20)10-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2.
What are the key properties of 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 302.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64846826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).