1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine

C13H24F2N2O — CID 176568021

IUPAC1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
SMILESCCCOCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C13H24F2N2O/c1-3-8-18-11-12(9-13(12,14)15)10-17-6-4-16(2)5-7-17/h3-11H2,1-2H3
InChIKeyDYCSNCCGTGFYAY-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.69
Rot. Bonds6

About 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine

1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine (PubChem CID 176568021) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
PubChem CID176568021
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
SMILESCCCOCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C13H24F2N2O/c1-3-8-18-11-12(9-13(12,14)15)10-17-6-4-16(2)5-7-17/h3-11H2,1-2H3
InChIKeyDYCSNCCGTGFYAY-UHFFFAOYSA-N
XLogP1.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-(trifluoromethyl)piperazine
CID 130418397
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-Methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine
CID 130418448
1-Methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine
CID 130418459
1-[1,2-Difluoro-2-(fluoromethyl)-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-4-(trifluoromethyl)piperazine;ethane
CID 145366151
[1-[(4-Methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 164878701
4,4-Difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170412690
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine
CID 170601560
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
CID 170601860
4-[[1-(Ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine
CID 170601886
4,4-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 172328349

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine (CID 176568021) is 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine is CCCOCC1(CN2CCN(C)CC2)CC1(F)F.
What is the InChIKey of 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
The InChIKey is DYCSNCCGTGFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-3-8-18-11-12(9-13(12,14)15)10-17-6-4-16(2)5-7-17/h3-11H2,1-2H3.
What are the key properties of 1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
1-[[2,2-difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine has a molecular weight of 262.34 g/mol, XLogP of 1.69, 6 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-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 176568021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).