3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

C13H23F3N2O — CID 64831509

IUPAC3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC1(C2CC2)CN(CCCOCC(F)(F)F)CCN1
InChIInChI=1S/C13H23F3N2O/c1-12(11-3-4-11)9-18(7-5-17-12)6-2-8-19-10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyJSIPTECXGGDGGY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds6

About 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 64831509) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID64831509
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC1(C2CC2)CN(CCCOCC(F)(F)F)CCN1
InChIInChI=1S/C13H23F3N2O/c1-12(11-3-4-11)9-18(7-5-17-12)6-2-8-19-10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyJSIPTECXGGDGGY-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
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-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine
CID 64926000
1-(3-cyclopentylpropyl)-3-cyclopropyl-3-methylpiperazine
CID 106008956
3-cyclopropyl-3-methyl-1-octylpiperazine
CID 64833492
3-(3-cyclopropyl-3-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64924654
3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine
CID 106221906
(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 104975515
3-cyclopropyl-3-methyl-1-(2-phenoxyethyl)piperazine
CID 64833088
N-methyl-1-[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]methanamine
CID 106318659
1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
CID 103414045
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
CID 105409901
1-[2-(4-bromophenoxy)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64832894
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxylic acid
CID 63136364

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 64831509) is 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is CC1(C2CC2)CN(CCCOCC(F)(F)F)CCN1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is JSIPTECXGGDGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-12(11-3-4-11)9-18(7-5-17-12)6-2-8-19-10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 64831509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).