2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol

C12H24F2N2O — CID 113463342

IUPAC2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)CN1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C12H24F2N2O/c1-10(2)7-16-5-3-11(4-6-16)15-8-12(13,14)9-17/h10-11,15,17H,3-9H2,1-2H3
InChIKeyVNNSVYWJYOBTAU-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.32
Rot. Bonds6

About 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol

2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 113463342) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID113463342
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)CN1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C12H24F2N2O/c1-10(2)7-16-5-3-11(4-6-16)15-8-12(13,14)9-17/h10-11,15,17H,3-9H2,1-2H3
InChIKeyVNNSVYWJYOBTAU-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol (CID 113463342) is 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol is CC(C)CN1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is VNNSVYWJYOBTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-10(2)7-16-5-3-11(4-6-16)15-8-12(13,14)9-17/h10-11,15,17H,3-9H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol?
2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 250.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 113463342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).