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

C13H23F2NO — CID 170412690

IUPAC4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H23F2NO/c1-11(2)17-10-12(3-4-12)9-16-7-5-13(14,15)6-8-16/h11H,3-10H2,1-2H3
InChIKeyGBSRKJUDNXEZQS-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.92
Rot. Bonds5

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

4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 170412690) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
PubChem CID170412690
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H23F2NO/c1-11(2)17-10-12(3-4-12)9-16-7-5-13(14,15)6-8-16/h11H,3-10H2,1-2H3
InChIKeyGBSRKJUDNXEZQS-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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Related Compounds

1-Methyl-4-(2,2,2-trifluoroethoxy)piperidine
CID 18722957
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
1-(2,2-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58365115
1-(2-Methylpropyl)-4-(trifluoromethoxy)piperidine
CID 71263296
4-[(2-Methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine
CID 118688853
4-(Difluoromethoxy)-1-propylpiperidine
CID 122485642
4-Butoxy-3-fluoro-1-methylpiperidine
CID 122536983
3,3-Difluoro-1-methyl-4-propan-2-yloxypiperidine
CID 124162743
(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine
CID 129230048
4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]piperidine
CID 129278257

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (CID 170412690) is 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is CC(C)OCC1(CN2CCC(F)(F)CC2)CC1.
What is the InChIKey of 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is GBSRKJUDNXEZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-11(2)17-10-12(3-4-12)9-16-7-5-13(14,15)6-8-16/h11H,3-10H2,1-2H3.
What are the key properties of 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
4,4-difluoro-1-[[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 4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 170412690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).