(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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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
CID 110267596
[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 95839236
[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 124998464
1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124979282
bis(4,4-difluoropiperidin-1-yl)methanone
CID 140517091
N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 127247774
1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 110094675
[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668
3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323373
(3-amino-1H-1,2,4-triazol-5-yl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 162631078
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
2,2-difluoro-7-methyl-4-oxa-7-azaspiro[2.5]octane
CID 176682809

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).