[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid

C11H18F2N2O3 — CID 118454373

IUPAC[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C2CCOCC2F)CC1F
InChIInChI=1S/C11H18F2N2O3/c12-7-5-15(3-1-9(7)14-11(16)17)10-2-4-18-6-8(10)13/h7-10,14H,1-6H2,(H,16,17)
InChIKeyKGZJHBMZCDOJDT-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.79
Rot. Bonds2

About [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid

[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid (PubChem CID 118454373) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid
PubChem CID118454373
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C2CCOCC2F)CC1F
InChIInChI=1S/C11H18F2N2O3/c12-7-5-15(3-1-9(7)14-11(16)17)10-2-4-18-6-8(10)13/h7-10,14H,1-6H2,(H,16,17)
InChIKeyKGZJHBMZCDOJDT-UHFFFAOYSA-N
XLogP0.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-[(3-fluorooxan-4-yl)amino]piperidine-1-carboxylate
CID 58035081
tert-butyl N-[1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate
CID 67126535
tert-butyl N-[1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-yl]carbamate
CID 67126536
tert-butyl N-(3-fluorooxan-4-yl)-N-piperidin-4-ylcarbamate
CID 67193019
tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate
CID 67193021
tert-butyl 4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
CID 68209903
tert-butyl 4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
CID 68209919
tert-butyl 4-[[(4S)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
CID 68211649
[1-(3,3-Difluorooxan-4-yl)piperidin-4-yl]carbamic acid
CID 118454394
[1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-yl]carbamic acid
CID 118454543
[(3R,4S)-3-fluoro-1-(oxan-4-yl)piperidin-4-yl]carbamic acid
CID 118454550
[(3S,4S)-3-fluoro-1-(oxan-4-yl)piperidin-4-yl]carbamic acid
CID 118454552

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid (CID 118454373) is [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C2CCOCC2F)CC1F.
What is the InChIKey of [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid?
The InChIKey is KGZJHBMZCDOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c12-7-5-15(3-1-9(7)14-11(16)17)10-2-4-18-6-8(10)13/h7-10,14H,1-6H2,(H,16,17).
What are the key properties of [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid?
[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid has a molecular weight of 264.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 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-yl]carbamic acid is sourced from PubChem (CID 118454373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).