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

C23H48F2N2 — CID 170599446

IUPAC3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CC(C)(C)NC(C)(C)C1.CC(C)C1CCN(C)CC1(F)F
InChIInChI=1S/C12H25N.C9H17F2N.C2H6/c1-9(2)10-7-11(3,4)13-12(5,6)8-10;1-7(2)8-4-5-12(3)6-9(8,10)11;1-2/h9-10,13H,7-8H2,1-6H3;7-8H,4-6H2,1-3H3;1-2H3
InChIKeyMGOHEBUNSPXOPL-UHFFFAOYSA-N
MW390.65 g/mol
LogP6.45
Rot. Bonds2

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

3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine (PubChem CID 170599446) has the molecular formula C23H48F2N2 and a molecular weight of 390.65 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine
PubChem CID170599446
Molecular FormulaC23H48F2N2
Molecular Weight390.65 g/mol
Exact Mass390.38
IUPAC Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CC(C)(C)NC(C)(C)C1.CC(C)C1CCN(C)CC1(F)F
InChIInChI=1S/C12H25N.C9H17F2N.C2H6/c1-9(2)10-7-11(3,4)13-12(5,6)8-10;1-7(2)8-4-5-12(3)6-9(8,10)11;1-2/h9-10,13H,7-8H2,1-6H3;7-8H,4-6H2,1-3H3;1-2H3
InChIKeyMGOHEBUNSPXOPL-UHFFFAOYSA-N
XLogP6.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 56.45
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;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine (CID 170599446) is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine is CC.CC(C)C1CC(C)(C)NC(C)(C)C1.CC(C)C1CCN(C)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine?
The InChIKey is MGOHEBUNSPXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C9H17F2N.C2H6/c1-9(2)10-7-11(3,4)13-12(5,6)8-10;1-7(2)8-4-5-12(3)6-9(8,10)11;1-2/h9-10,13H,7-8H2,1-6H3;7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine?
3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;ethane;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine has a molecular weight of 390.65 g/mol, XLogP of 6.45, 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;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 170599446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).