1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol

C8H16F2N2O — CID 116991251

IUPAC1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol
SMILESNCC(O)CN1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N2O/c9-8(10)1-3-12(4-2-8)6-7(13)5-11/h7,13H,1-6,11H2
InChIKeyGFUAXYOJNYOLBR-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.04
Rot. Bonds3

About 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol

1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol (PubChem CID 116991251) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol
PubChem CID116991251
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol
SMILESNCC(O)CN1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N2O/c9-8(10)1-3-12(4-2-8)6-7(13)5-11/h7,13H,1-6,11H2
InChIKeyGFUAXYOJNYOLBR-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol (CID 116991251) is 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol is NCC(O)CN1CCC(F)(F)CC1.
What is the InChIKey of 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol?
The InChIKey is GFUAXYOJNYOLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c9-8(10)1-3-12(4-2-8)6-7(13)5-11/h7,13H,1-6,11H2.
What are the key properties of 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol?
1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol has a molecular weight of 194.22 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 116991251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).