3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine

C10H18F2N2O — CID 118454403

IUPAC3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine
SMILESNC1CCN(C2CCOCC2F)CC1F
InChIInChI=1S/C10H18F2N2O/c11-7-5-14(3-1-9(7)13)10-2-4-15-6-8(10)12/h7-10H,1-6,13H2
InChIKeyURMJGNSCRXIAFN-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.48
Rot. Bonds1

About 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine

3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine (PubChem CID 118454403) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine
PubChem CID118454403
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine
SMILESNC1CCN(C2CCOCC2F)CC1F
InChIInChI=1S/C10H18F2N2O/c11-7-5-14(3-1-9(7)13)10-2-4-15-6-8(10)12/h7-10H,1-6,13H2
InChIKeyURMJGNSCRXIAFN-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)piperidin-4-amine
CID 57428704
N-Methyl-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 43611272
1-(Oxan-4-yl)piperidin-4-amine dihydrochloride
CID 45156751
1-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608634
1-(Tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 22562145
N-(oxan-4-yl)piperidin-4-amine dihydrochloride
CID 132327693
N-isopentyl-N-(4-piperidyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 91916173
1-(Oxan-4-yl)piperidin-3-amine
CID 61297925
1-(3-Fluorooxan-4-yl)piperidin-4-amine
CID 67126551
1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine
CID 67126552
1-[(3S,4S)-3-fluorooxan-4-yl]piperidin-4-amine
CID 67126554
N-[(3R,4R)-3-fluorotetrahydropyran-4-yl]piperidin-4-amine
CID 68210074

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine?
The IUPAC name of 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine (CID 118454403) is 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine?
The canonical SMILES for 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine is NC1CCN(C2CCOCC2F)CC1F.
What is the InChIKey of 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine?
The InChIKey is URMJGNSCRXIAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c11-7-5-14(3-1-9(7)13)10-2-4-15-6-8(10)12/h7-10H,1-6,13H2.
What are the key properties of 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine?
3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine has a molecular weight of 220.26 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 118454403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).