3-(difluoromethyl)-3-methoxypiperidine

C7H13F2NO — CID 167723798

IUPAC3-(difluoromethyl)-3-methoxypiperidine
SMILESCOC1(C(F)F)CCCNC1
InChIInChI=1S/C7H13F2NO/c1-11-7(6(8)9)3-2-4-10-5-7/h6,10H,2-5H2,1H3
InChIKeyXHPAQXXNAIZHDL-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.02
Rot. Bonds2

About 3-(difluoromethyl)-3-methoxypiperidine

3-(difluoromethyl)-3-methoxypiperidine (PubChem CID 167723798) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-3-methoxypiperidine.

Molecular Properties

Compound Name3-(difluoromethyl)-3-methoxypiperidine
PubChem CID167723798
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(difluoromethyl)-3-methoxypiperidine
SMILESCOC1(C(F)F)CCCNC1
InChIInChI=1S/C7H13F2NO/c1-11-7(6(8)9)3-2-4-10-5-7/h6,10H,2-5H2,1H3
InChIKeyXHPAQXXNAIZHDL-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(difluoromethyl)-3-methylpiperidine
CID 58874293
3-propan-2-yl-3-propan-2-yloxypiperidine
CID 21037381
3-fluoro-3-propylpiperidine
CID 83815245
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
3-(difluoromethyl)-3-methylazepane
CID 105432135
3,3-difluoroazepane;ethane
CID 142117389
5-methoxy-5-methylazonane
CID 137425996
3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine
CID 127017269
3-fluoro-3-iodopiperidine
CID 126739580
(3R)-3-fluoro-3-methylazepane
CID 124708989

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3-methoxypiperidine?
The IUPAC name of 3-(difluoromethyl)-3-methoxypiperidine (CID 167723798) is 3-(difluoromethyl)-3-methoxypiperidine.
What is the SMILES notation for 3-(difluoromethyl)-3-methoxypiperidine?
The canonical SMILES for 3-(difluoromethyl)-3-methoxypiperidine is COC1(C(F)F)CCCNC1.
What is the InChIKey of 3-(difluoromethyl)-3-methoxypiperidine?
The InChIKey is XHPAQXXNAIZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-11-7(6(8)9)3-2-4-10-5-7/h6,10H,2-5H2,1H3.
What are the key properties of 3-(difluoromethyl)-3-methoxypiperidine?
3-(difluoromethyl)-3-methoxypiperidine has a molecular weight of 165.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3-methoxypiperidine is sourced from PubChem (CID 167723798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).