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

C23H50F2N2 — CID 170599692

IUPAC3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine
SMILESCC.CC.CC(C)C1CCN(C)CC1(F)F.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C10H21N.C9H17F2N.2C2H6/c1-8-6-9(2,3)11-10(4,5)7-8;1-7(2)8-4-5-12(3)6-9(8,10)11;2*1-2/h8,11H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyJSUQZHMDKVLIBJ-UHFFFAOYSA-N
MW392.66 g/mol
LogP6.84
Rot. Bonds1

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

3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine (PubChem CID 170599692) has the molecular formula C23H50F2N2 and a molecular weight of 392.66 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine
PubChem CID170599692
Molecular FormulaC23H50F2N2
Molecular Weight392.66 g/mol
Exact Mass392.39
IUPAC Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine
SMILESCC.CC.CC(C)C1CCN(C)CC1(F)F.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C10H21N.C9H17F2N.2C2H6/c1-8-6-9(2,3)11-10(4,5)7-8;1-7(2)8-4-5-12(3)6-9(8,10)11;2*1-2/h8,11H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyJSUQZHMDKVLIBJ-UHFFFAOYSA-N
XLogP6.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine (CID 170599692) is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine is CC.CC.CC(C)C1CCN(C)CC1(F)F.CC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine?
The InChIKey is JSUQZHMDKVLIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H17F2N.2C2H6/c1-8-6-9(2,3)11-10(4,5)7-8;1-7(2)8-4-5-12(3)6-9(8,10)11;2*1-2/h8,11H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine?
3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,4,6,6-pentamethylpiperidine has a molecular weight of 392.66 g/mol, XLogP of 6.84, 1 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;2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 170599692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).