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

C10H18F2N2O — CID 118454405

IUPAC1-(3,3-difluorooxan-4-yl)piperidin-4-amine
SMILESNC1CCN(C2CCOCC2(F)F)CC1
InChIInChI=1S/C10H18F2N2O/c11-10(12)7-15-6-3-9(10)14-4-1-8(13)2-5-14/h8-9H,1-7,13H2
InChIKeyNBFNFXJLUSHJMF-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.83
Rot. Bonds1

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

1-(3,3-difluorooxan-4-yl)piperidin-4-amine (PubChem CID 118454405) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-(3,3-difluorooxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,3-difluorooxan-4-yl)piperidin-4-amine
PubChem CID118454405
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-(3,3-difluorooxan-4-yl)piperidin-4-amine
SMILESNC1CCN(C2CCOCC2(F)F)CC1
InChIInChI=1S/C10H18F2N2O/c11-10(12)7-15-6-3-9(10)14-4-1-8(13)2-5-14/h8-9H,1-7,13H2
InChIKeyNBFNFXJLUSHJMF-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluorooxan-4-yl)piperidin-4-amine;dihydrochloride
CID 118454586
1-(oxolan-3-yl)piperidin-4-amine
CID 63333556
1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine
CID 118454807
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79926969
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol
CID 126846710
oxan-4-amine;pentakis(yttrium)
CID 158916020
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 144948013
3,3-difluoro-4-propyloxane
CID 168887146
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
ethane;1-methylpiperidin-4-amine
CID 123622295

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorooxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-(3,3-difluorooxan-4-yl)piperidin-4-amine (CID 118454405) is 1-(3,3-difluorooxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3,3-difluorooxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(3,3-difluorooxan-4-yl)piperidin-4-amine is NC1CCN(C2CCOCC2(F)F)CC1.
What is the InChIKey of 1-(3,3-difluorooxan-4-yl)piperidin-4-amine?
The InChIKey is NBFNFXJLUSHJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c11-10(12)7-15-6-3-9(10)14-4-1-8(13)2-5-14/h8-9H,1-7,13H2.
What are the key properties of 1-(3,3-difluorooxan-4-yl)piperidin-4-amine?
1-(3,3-difluorooxan-4-yl)piperidin-4-amine has a molecular weight of 220.26 g/mol, XLogP of 0.83, 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 is sourced from PubChem (CID 118454405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).