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

C15H27F2NO — CID 170367549

IUPAC4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(C(C)(F)F)CC2)CC1
InChIInChI=1S/C15H27F2NO/c1-12(2)19-11-15(6-7-15)10-18-8-4-13(5-9-18)14(3,16)17/h12-13H,4-11H2,1-3H3
InChIKeyORWDLFZHMZAUGW-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.56
Rot. Bonds6

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

4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 170367549) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
PubChem CID170367549
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(C(C)(F)F)CC2)CC1
InChIInChI=1S/C15H27F2NO/c1-12(2)19-11-15(6-7-15)10-18-8-4-13(5-9-18)14(3,16)17/h12-13H,4-11H2,1-3H3
InChIKeyORWDLFZHMZAUGW-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
4-[Ethoxy(difluoro)methyl]-1-ethylpiperidine
CID 20723957
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
1-(2-Methylpropyl)-4-(trifluoromethoxy)piperidine
CID 71263296
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
CID 121404019
(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine
CID 129230048
4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]piperidine
CID 129278257
4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
[4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]piperidin-1-yl]phosphane
CID 129298886
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418388

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (CID 170367549) is 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is CC(C)OCC1(CN2CCC(C(C)(F)F)CC2)CC1.
What is the InChIKey of 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is ORWDLFZHMZAUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-12(2)19-11-15(6-7-15)10-18-8-4-13(5-9-18)14(3,16)17/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 275.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 170367549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).