(4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone

C12H20F2N2O2 — CID 73439501

IUPAC(4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
SMILESCN1CCOC(C)(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H20F2N2O2/c1-11(9-15(2)7-8-18-11)10(17)16-5-3-12(13,14)4-6-16/h3-9H2,1-2H3
InChIKeySEPMQEKUVVDBSI-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.96
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone

(4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone (PubChem CID 73439501) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
PubChem CID73439501
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
SMILESCN1CCOC(C)(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H20F2N2O2/c1-11(9-15(2)7-8-18-11)10(17)16-5-3-12(13,14)4-6-16/h3-9H2,1-2H3
InChIKeySEPMQEKUVVDBSI-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone (CID 73439501) is (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone is CN1CCOC(C)(C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone?
The InChIKey is SEPMQEKUVVDBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-11(9-15(2)7-8-18-11)10(17)16-5-3-12(13,14)4-6-16/h3-9H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone has a molecular weight of 262.30 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone is sourced from PubChem (CID 73439501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).