1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride

C10H20Cl2F2N2O — CID 118454586

IUPAC1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(C2CCOCC2(F)F)CC1
InChIInChI=1S/C10H18F2N2O.2ClH/c11-10(12)7-15-6-3-9(10)14-4-1-8(13)2-5-14;;/h8-9H,1-7,13H2;2*1H
InChIKeyOSHHWMPKIHQBCK-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.68
Rot. Bonds1

About 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride

1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride (PubChem CID 118454586) has the molecular formula C10H20Cl2F2N2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride
PubChem CID118454586
Molecular FormulaC10H20Cl2F2N2O
Molecular Weight293.19 g/mol
Exact Mass292.09
IUPAC Name1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(C2CCOCC2(F)F)CC1
InChIInChI=1S/C10H18F2N2O.2ClH/c11-10(12)7-15-6-3-9(10)14-4-1-8(13)2-5-14;;/h8-9H,1-7,13H2;2*1H
InChIKeyOSHHWMPKIHQBCK-UHFFFAOYSA-N
XLogP1.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride (CID 118454586) is 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(C2CCOCC2(F)F)CC1.
What is the InChIKey of 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride?
The InChIKey is OSHHWMPKIHQBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O.2ClH/c11-10(12)7-15-6-3-9(10)14-4-1-8(13)2-5-14;;/h8-9H,1-7,13H2;2*1H.
What are the key properties of 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride?
1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride has a molecular weight of 293.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 118454586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).