1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane

C13H27F2NO — CID 176693193

IUPAC1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane
SMILESCC.CC(C)OC1CCN(CC(C)(F)F)CC1
InChIInChI=1S/C11H21F2NO.C2H6/c1-9(2)15-10-4-6-14(7-5-10)8-11(3,12)13;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyGBXTYBBMXFYRSI-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.56
Rot. Bonds4

About 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane

1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane (PubChem CID 176693193) has the molecular formula C13H27F2NO and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane
PubChem CID176693193
Molecular FormulaC13H27F2NO
Molecular Weight251.36 g/mol
Exact Mass251.21
IUPAC Name1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane
SMILESCC.CC(C)OC1CCN(CC(C)(F)F)CC1
InChIInChI=1S/C11H21F2NO.C2H6/c1-9(2)15-10-4-6-14(7-5-10)8-11(3,12)13;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyGBXTYBBMXFYRSI-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine
CID 177031923
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153
2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile
CID 84670665
1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine
CID 167661004
1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
CID 137409417
3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine
CID 137419192
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
CID 140623503
2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 174183157
1-iodoiodanuidyl-4-propan-2-yloxypiperidine
CID 176580793
1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine
CID 165372771
(1S)-1-[4-[2,2-difluoro-3-(4-propan-2-ylpiperazin-1-yl)propyl]cyclohexyl]oxyethanethiol
CID 175636119

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane?
The IUPAC name of 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane (CID 176693193) is 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane.
What is the SMILES notation for 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane?
The canonical SMILES for 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane is CC.CC(C)OC1CCN(CC(C)(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane?
The InChIKey is GBXTYBBMXFYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO.C2H6/c1-9(2)15-10-4-6-14(7-5-10)8-11(3,12)13;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane?
1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane has a molecular weight of 251.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane is sourced from PubChem (CID 176693193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).