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

C13H24F2N2O — CID 176568040

IUPAC1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine
SMILESCC(C)OCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C13H24F2N2O/c1-11(2)18-10-12(8-13(12,14)15)9-17-6-4-16(3)5-7-17/h11H,4-10H2,1-3H3
InChIKeyKCRXFOCBISPRJX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.68
Rot. Bonds5

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

1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine (PubChem CID 176568040) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine
PubChem CID176568040
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine
SMILESCC(C)OCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C13H24F2N2O/c1-11(2)18-10-12(8-13(12,14)15)9-17-6-4-16(3)5-7-17/h11H,4-10H2,1-3H3
InChIKeyKCRXFOCBISPRJX-UHFFFAOYSA-N
XLogP1.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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?
The IUPAC name of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine (CID 176568040) is 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine is 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?
The InChIKey is KCRXFOCBISPRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-11(2)18-10-12(8-13(12,14)15)9-17-6-4-16(3)5-7-17/h11H,4-10H2,1-3H3.
What are the key properties of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine has a molecular weight of 262.34 g/mol, XLogP of 1.68, 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 is sourced from PubChem (CID 176568040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).