3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol

C11H22F2N2O — CID 115712199

IUPAC3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H22F2N2O/c1-9(8-16)6-14-10-2-4-15(5-3-10)7-11(12)13/h9-11,14,16H,2-8H2,1H3
InChIKeyJZHVAMCQZLKIOF-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.93
Rot. Bonds6

About 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol

3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 115712199) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID115712199
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H22F2N2O/c1-9(8-16)6-14-10-2-4-15(5-3-10)7-11(12)13/h9-11,14,16H,2-8H2,1H3
InChIKeyJZHVAMCQZLKIOF-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol (CID 115712199) is 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol is CC(CO)CNC1CCN(CC(F)F)CC1.
What is the InChIKey of 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is JZHVAMCQZLKIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-9(8-16)6-14-10-2-4-15(5-3-10)7-11(12)13/h9-11,14,16H,2-8H2,1H3.
What are the key properties of 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol?
3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115712199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).