1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine

C12H21F2NO — CID 170601860

IUPAC1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
SMILESCCOCC1(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H21F2NO/c1-2-16-10-11(3-4-11)9-15-7-5-12(13,14)6-8-15/h2-10H2,1H3
InChIKeyMYFMSUFONLTPDW-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.53
Rot. Bonds5

About 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine

1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine (PubChem CID 170601860) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
PubChem CID170601860
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
SMILESCCOCC1(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H21F2NO/c1-2-16-10-11(3-4-11)9-15-7-5-12(13,14)6-8-15/h2-10H2,1H3
InChIKeyMYFMSUFONLTPDW-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.53
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
(1-((4,4-Difluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 116991256
[1-[(3,3-Difluoro-1-piperidyl)methyl]cyclopropyl]methanol
CID 116991375
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
CID 121404019
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-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine
CID 130418399
1-[1,2,3,3,3-Pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine
CID 130418431
4-(Difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine
CID 134274365
4-(Difluoromethoxy)-1-(2,2-dimethylpropyl)piperidine
CID 137419096

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine (CID 170601860) is 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine is CCOCC1(CN2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine?
The InChIKey is MYFMSUFONLTPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-2-16-10-11(3-4-11)9-15-7-5-12(13,14)6-8-15/h2-10H2,1H3.
What are the key properties of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine?
1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine has a molecular weight of 233.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 170601860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).