[1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid

C11H18F2N2O3 — CID 118454394

IUPAC[1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C2CCOCC2(F)F)CC1
InChIInChI=1S/C11H18F2N2O3/c12-11(13)7-18-6-3-9(11)15-4-1-8(2-5-15)14-10(16)17/h8-9,14H,1-7H2,(H,16,17)
InChIKeyGWFAGLKPSABYPY-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.14
Rot. Bonds2

About [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid

[1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid (PubChem CID 118454394) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid
PubChem CID118454394
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name[1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C2CCOCC2(F)F)CC1
InChIInChI=1S/C11H18F2N2O3/c12-11(13)7-18-6-3-9(11)15-4-1-8(2-5-15)14-10(16)17/h8-9,14H,1-7H2,(H,16,17)
InChIKeyGWFAGLKPSABYPY-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
[3-Fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid
CID 118454373
[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
[1-(3-Fluorooxan-4-yl)piperidin-4-yl]carbamic acid
CID 123435493
tert-butyl N-[1-[(3S,4S)-3-fluorooxan-4-yl]piperidin-4-yl]carbamate
CID 141281842
N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146455406
Ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate
CID 61491227
tert-Butyl [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate
CID 154466864
2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide
CID 172909065

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid (CID 118454394) is [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C2CCOCC2(F)F)CC1.
What is the InChIKey of [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid?
The InChIKey is GWFAGLKPSABYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c12-11(13)7-18-6-3-9(11)15-4-1-8(2-5-15)14-10(16)17/h8-9,14H,1-7H2,(H,16,17).
What are the key properties of [1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid?
[1-(3,3-difluorooxan-4-yl)piperidin-4-yl]carbamic acid has a molecular weight of 264.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 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-yl]carbamic acid is sourced from PubChem (CID 118454394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).