3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine

C22H46F2N2 — CID 170599664

IUPAC3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine
SMILESCC.CC(C)C1CCN(C)CC1(F)F.CCC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H23N.C9H17F2N.C2H6/c1-6-9-7-10(2,3)12-11(4,5)8-9;1-7(2)8-4-5-12(3)6-9(8,10)11;1-2/h9,12H,6-8H2,1-5H3;7-8H,4-6H2,1-3H3;1-2H3
InChIKeyDORYGVWCOQMLKP-UHFFFAOYSA-N
MW376.62 g/mol
LogP6.21
Rot. Bonds2

About 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine

3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine (PubChem CID 170599664) has the molecular formula C22H46F2N2 and a molecular weight of 376.62 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine
PubChem CID170599664
Molecular FormulaC22H46F2N2
Molecular Weight376.62 g/mol
Exact Mass376.36
IUPAC Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine
SMILESCC.CC(C)C1CCN(C)CC1(F)F.CCC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H23N.C9H17F2N.C2H6/c1-6-9-7-10(2,3)12-11(4,5)8-9;1-7(2)8-4-5-12(3)6-9(8,10)11;1-2/h9,12H,6-8H2,1-5H3;7-8H,4-6H2,1-3H3;1-2H3
InChIKeyDORYGVWCOQMLKP-UHFFFAOYSA-N
XLogP6.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.62
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluoro-4-(1-methylpiperidin-4-yl)piperidine
CID 105426917
4,4-Difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine
CID 129226745
4-Tert-butyl-1-[4-[2-(2-cyclopropyl-2-methylpropyl)piperidin-4-yl]-1,1,1-trifluoro-4-methylpentan-2-yl]piperidine
CID 129253189
1-[1-(1-Tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine
CID 135275097
4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine
CID 142528823
1-(2,3-Dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine
CID 146244489
5-(1,1-Difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine
CID 151244801
1-(2,2-Difluoroethyl)-2-methyl-3-propan-2-yl-5-[2,2,2-trifluoro-1-(2-methyl-3-propan-2-ylpiperidin-1-yl)ethyl]piperidine
CID 154953327
1-Propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 155121592
2-[2-(4-Fluoro-1-methylpiperidin-4-yl)propyl]-4-methyl-4-propan-2-ylpiperidine
CID 156338623
1-[5-(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)hexan-2-yl]-2,2-difluoro-4-propan-2-ylpiperidine
CID 162617358
3,3-Difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine
CID 163380589

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine (CID 170599664) is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine is CC.CC(C)C1CCN(C)CC1(F)F.CCC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine?
The InChIKey is DORYGVWCOQMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C9H17F2N.C2H6/c1-6-9-7-10(2,3)12-11(4,5)8-9;1-7(2)8-4-5-12(3)6-9(8,10)11;1-2/h9,12H,6-8H2,1-5H3;7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine?
3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine has a molecular weight of 376.62 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;4-ethyl-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 170599664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).