1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine

C11H21F2NO — CID 58365115

IUPAC1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)OC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-11(2,3)15-9-4-6-14(7-5-9)8-10(12)13/h9-10H,4-8H2,1-3H3
InChIKeyVIMJACIJAXMAOM-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine

1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 58365115) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID58365115
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)OC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-11(2,3)15-9-4-6-14(7-5-9)8-10(12)13/h9-10H,4-8H2,1-3H3
InChIKeyVIMJACIJAXMAOM-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine (CID 58365115) is 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine is CC(C)(C)OC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is VIMJACIJAXMAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-11(2,3)15-9-4-6-14(7-5-9)8-10(12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine?
1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 221.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 58365115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).