1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane

C15H30F2N2O — CID 176568039

IUPAC1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane
SMILESCC.CC(C)OCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C13H24F2N2O.C2H6/c1-11(2)18-10-12(8-13(12,14)15)9-17-6-4-16(3)5-7-17;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyPKWNASVYXSRKJH-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.71
Rot. Bonds5

About 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane

1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane (PubChem CID 176568039) has the molecular formula C15H30F2N2O and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane
PubChem CID176568039
Molecular FormulaC15H30F2N2O
Molecular Weight292.41 g/mol
Exact Mass292.23
IUPAC Name1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane
SMILESCC.CC(C)OCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C13H24F2N2O.C2H6/c1-11(2)18-10-12(8-13(12,14)15)9-17-6-4-16(3)5-7-17;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyPKWNASVYXSRKJH-UHFFFAOYSA-N
XLogP2.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane 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

4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-4-(trifluoromethyl)piperazine
CID 130418391
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-(trifluoromethyl)piperazine
CID 130418397
1-Methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine
CID 130418401
1-[(3S)-1,2-difluoro-3-[(4R)-3,3,4,5,5,5-hexafluoropentan-2-yl]oxy-2-(trifluoromethyl)butyl]-4-methylpiperazine
CID 130418415
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-fluoropiperazine
CID 137474503
4-Methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 147253901
[1-[(4-Methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 164878701
1-Methyl-4-(4,4,4-trifluoro-3-methoxybutyl)piperazine
CID 168081113
1-[[1-(Methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
CID 169255870
1-(3-Propan-2-yloxypropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 169828985
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
CID 170343535

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane?
The IUPAC name of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane (CID 176568039) is 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane.
What is the SMILES notation for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane?
The canonical SMILES for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane is CC.CC(C)OCC1(CN2CCN(C)CC2)CC1(F)F.
What is the InChIKey of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane?
The InChIKey is PKWNASVYXSRKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O.C2H6/c1-11(2)18-10-12(8-13(12,14)15)9-17-6-4-16(3)5-7-17;1-2/h11H,4-10H2,1-3H3;1-2H3.
What are the key properties of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane?
1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane has a molecular weight of 292.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane is sourced from PubChem (CID 176568039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).