4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol

C10H18F2N2O2 — CID 162799271

IUPAC4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol
SMILESNC1COC(CN2CCC(F)(F)CC2)C1O
InChIInChI=1S/C10H18F2N2O2/c11-10(12)1-3-14(4-2-10)5-8-9(15)7(13)6-16-8/h7-9,15H,1-6,13H2
InChIKeyXNSAOCXDOMDYEN-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.20
Rot. Bonds2

About 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol

4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol (PubChem CID 162799271) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol
PubChem CID162799271
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol
SMILESNC1COC(CN2CCC(F)(F)CC2)C1O
InChIInChI=1S/C10H18F2N2O2/c11-10(12)1-3-14(4-2-10)5-8-9(15)7(13)6-16-8/h7-9,15H,1-6,13H2
InChIKeyXNSAOCXDOMDYEN-UHFFFAOYSA-N
XLogP-0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol?
The IUPAC name of 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol (CID 162799271) is 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol.
What is the SMILES notation for 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol?
The canonical SMILES for 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol is NC1COC(CN2CCC(F)(F)CC2)C1O.
What is the InChIKey of 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol?
The InChIKey is XNSAOCXDOMDYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-10(12)1-3-14(4-2-10)5-8-9(15)7(13)6-16-8/h7-9,15H,1-6,13H2.
What are the key properties of 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol?
4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol has a molecular weight of 236.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol is sourced from PubChem (CID 162799271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).