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

C13H23F2NO — CID 177009704

IUPAC1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCCCC2)CC1(F)F
InChIInChI=1S/C13H23F2NO/c1-11(2)17-10-12(8-13(12,14)15)9-16-6-4-3-5-7-16/h11H,3-10H2,1-2H3
InChIKeyYDNHXVXCQOLCHV-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.92
Rot. Bonds5

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

1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 177009704) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
PubChem CID177009704
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCCCC2)CC1(F)F
InChIInChI=1S/C13H23F2NO/c1-11(2)17-10-12(8-13(12,14)15)9-16-6-4-3-5-7-16/h11H,3-10H2,1-2H3
InChIKeyYDNHXVXCQOLCHV-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (CID 177009704) is 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is CC(C)OCC1(CN2CCCCC2)CC1(F)F.
What is the InChIKey of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is YDNHXVXCQOLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-11(2)17-10-12(8-13(12,14)15)9-16-6-4-3-5-7-16/h11H,3-10H2,1-2H3.
What are the key properties of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 247.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 177009704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).