2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C12H21F3N2O — CID 64846882

IUPAC2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC1CN(CCOCC(F)(F)F)C(C2CC2)CN1
InChIInChI=1S/C12H21F3N2O/c1-9-7-17(4-5-18-8-12(13,14)15)11(6-16-9)10-2-3-10/h9-11,16H,2-8H2,1H3
InChIKeyIYKPMEXDXLYQFG-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.64
Rot. Bonds5

About 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64846882) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64846882
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC1CN(CCOCC(F)(F)F)C(C2CC2)CN1
InChIInChI=1S/C12H21F3N2O/c1-9-7-17(4-5-18-8-12(13,14)15)11(6-16-9)10-2-3-10/h9-11,16H,2-8H2,1H3
InChIKeyIYKPMEXDXLYQFG-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.64
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

3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
(2S,3S)-3-methyl-1-morpholin-4-ylpentan-2-amine
CID 28406548
2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
CID 138657179
2-Propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
CID 155003766
5-Tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine
CID 155003866
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 160816876
5-fluoro-1-(2-methoxyethyl)-N-propan-2-ylpiperidin-3-amine
CID 167492751
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-amine
CID 169153936
(6R,7R)-6,7-dimethyl-8-(trifluoromethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
CID 177261770
N-(2-ethoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778445
N-(1-morpholin-4-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43779516

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64846882) is 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CC1CN(CCOCC(F)(F)F)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is IYKPMEXDXLYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9-7-17(4-5-18-8-12(13,14)15)11(6-16-9)10-2-3-10/h9-11,16H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 266.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64846882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).