4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine

C18H38F2N2O — CID 177030560

IUPAC4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
SMILESCC.CC(C)CN1CCOCC1.CC(C)N1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2N.C8H17NO.C2H6/c1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)7-9-3-5-10-6-4-9;1-2/h7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;1-2H3
InChIKeyBFGGYWXSZSMRGZ-UHFFFAOYSA-N
MW336.51 g/mol
LogP4.13
Rot. Bonds3

About 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine

4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine (PubChem CID 177030560) has the molecular formula C18H38F2N2O and a molecular weight of 336.51 g/mol. Its IUPAC name is 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
PubChem CID177030560
Molecular FormulaC18H38F2N2O
Molecular Weight336.51 g/mol
Exact Mass336.30
IUPAC Name4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
SMILESCC.CC(C)CN1CCOCC1.CC(C)N1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2N.C8H17NO.C2H6/c1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)7-9-3-5-10-6-4-9;1-2/h7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;1-2H3
InChIKeyBFGGYWXSZSMRGZ-UHFFFAOYSA-N
XLogP4.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4,4-Difluoropiperidin-1-yl)-2-methylpropan-2-yl]-4-(2-methylpropyl)morpholine
CID 130368442
2-[3-(4,4-Difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine
CID 130368452
Ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345540
4,4-Difluoro-1-methylpiperidine;4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 144481106
ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine
CID 144580578
4,4-Difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine
CID 144926144
4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine;4,4-difluoro-3-methyl-1-propan-2-ylpiperidine;ethane
CID 145332669
4,5-Di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine
CID 146614566
4-(3-Fluoro-1-methylpiperidin-4-yl)morpholine
CID 156431226
4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine
CID 158144476
4-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]morpholine
CID 158144477
2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine
CID 158371122

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine?
The IUPAC name of 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine (CID 177030560) is 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine.
What is the SMILES notation for 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine?
The canonical SMILES for 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine is CC.CC(C)CN1CCOCC1.CC(C)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine?
The InChIKey is BFGGYWXSZSMRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.C8H17NO.C2H6/c1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)7-9-3-5-10-6-4-9;1-2/h7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;1-2H3.
What are the key properties of 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine?
4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine has a molecular weight of 336.51 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine is sourced from PubChem (CID 177030560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).