1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine

C16H27F2N3O — CID 153499379

IUPAC1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine
SMILESCC(C)c1cn(C(C)C)nc1OC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H27F2N3O/c1-11(2)14-9-21(12(3)4)19-16(14)22-13-5-7-20(8-6-13)10-15(17)18/h9,11-13,15H,5-8,10H2,1-4H3
InChIKeyIPLCKAYJOXNAHQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.70
Rot. Bonds6

About 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine

1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine (PubChem CID 153499379) has the molecular formula C16H27F2N3O and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine
PubChem CID153499379
Molecular FormulaC16H27F2N3O
Molecular Weight315.41 g/mol
Exact Mass315.21
IUPAC Name1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine
SMILESCC(C)c1cn(C(C)C)nc1OC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H27F2N3O/c1-11(2)14-9-21(12(3)4)19-16(14)22-13-5-7-20(8-6-13)10-15(17)18/h9,11-13,15H,5-8,10H2,1-4H3
InChIKeyIPLCKAYJOXNAHQ-UHFFFAOYSA-N
XLogP3.70
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146611004
6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 159276308
4-Ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole
CID 167258922
1-(2,2-Difluoroethyl)-3-methoxy-4-propan-2-ylpyrazole
CID 168723661
1-(Difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole
CID 168723760
6,6-Difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168750902
6-Methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168750935
6-Fluoro-6-methyl-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168751026
3-ethyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 169634050
6-Fluoro-6-methyl-3-pentan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 169834514
1-Cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole
CID 170175326
1-(2-Fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole
CID 170175328

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine (CID 153499379) is 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine is CC(C)c1cn(C(C)C)nc1OC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine?
The InChIKey is IPLCKAYJOXNAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3O/c1-11(2)14-9-21(12(3)4)19-16(14)22-13-5-7-20(8-6-13)10-15(17)18/h9,11-13,15H,5-8,10H2,1-4H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine?
1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine has a molecular weight of 315.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine is sourced from PubChem (CID 153499379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).