4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine

C11H19F2NO — CID 129290451

IUPAC4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
SMILESCN1CCC(OCC2(C)CC2(F)F)CC1
InChIInChI=1S/C11H19F2NO/c1-10(7-11(10,12)13)8-15-9-3-5-14(2)6-4-9/h9H,3-8H2,1-2H3
InChIKeyGTSQOHYUCPAUKD-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.14
Rot. Bonds3

About 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine

4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine (PubChem CID 129290451) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
PubChem CID129290451
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
SMILESCN1CCC(OCC2(C)CC2(F)F)CC1
InChIInChI=1S/C11H19F2NO/c1-10(7-11(10,12)13)8-15-9-3-5-14(2)6-4-9/h9H,3-8H2,1-2H3
InChIKeyGTSQOHYUCPAUKD-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.14
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-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine?
The IUPAC name of 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine (CID 129290451) is 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine?
The canonical SMILES for 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine is CN1CCC(OCC2(C)CC2(F)F)CC1.
What is the InChIKey of 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine?
The InChIKey is GTSQOHYUCPAUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(7-11(10,12)13)8-15-9-3-5-14(2)6-4-9/h9H,3-8H2,1-2H3.
What are the key properties of 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine?
4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine has a molecular weight of 219.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine is sourced from PubChem (CID 129290451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).