3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine

C10H19F2NO — CID 170771867

IUPAC3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine
SMILESCC(C)C1C(OC(F)F)CCCN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)9-8(14-10(11)12)5-4-6-13(9)3/h7-10H,4-6H2,1-3H3
InChIKeyIDKFKIHSMWBTRM-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.34
Rot. Bonds3

About 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine

3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine (PubChem CID 170771867) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine
PubChem CID170771867
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine
SMILESCC(C)C1C(OC(F)F)CCCN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)9-8(14-10(11)12)5-4-6-13(9)3/h7-10H,4-6H2,1-3H3
InChIKeyIDKFKIHSMWBTRM-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Difluoro-3-methoxy-1-propan-2-ylpiperidine
CID 58110410
1-[2-(4,4,5,5,6,6,6-Heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine
CID 59204103
1-[2-(4,4,5,5,6,6,7,7-Octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine
CID 59204110
4-(4,4,7,7,7-Pentafluoro-2-methylheptyl)morpholine
CID 89623747
4-[4,4,6,7,7,7-Hexafluoro-2-methyl-6-(trifluoromethyl)heptyl]morpholine
CID 89623757
1-Tert-butyl-4,4-difluoro-3-methoxypiperidine
CID 124177650
3-(Difluoromethoxy)-1-propan-2-ylpiperidine
CID 130717999
1-Tert-butyl-3-(difluoromethoxy)piperidine
CID 141751513
4-(2,2-Difluoroethyl)-2-(4-methylpentyl)morpholine
CID 166800110
3-(Difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine
CID 166824078
2-Tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine
CID 167076250
(2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine
CID 167254822

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine?
The IUPAC name of 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine (CID 170771867) is 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine.
What is the SMILES notation for 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine?
The canonical SMILES for 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine is CC(C)C1C(OC(F)F)CCCN1C.
What is the InChIKey of 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine?
The InChIKey is IDKFKIHSMWBTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)9-8(14-10(11)12)5-4-6-13(9)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine?
3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 170771867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).