4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine

C16H31F2N — CID 118243069

IUPAC4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine
SMILESCCCC(CCC)N1C(C)C(C)C(F)(F)C(C)C1C
InChIInChI=1S/C16H31F2N/c1-7-9-15(10-8-2)19-13(5)11(3)16(17,18)12(4)14(19)6/h11-15H,7-10H2,1-6H3
InChIKeyUHLFLIAIBKGNRV-UHFFFAOYSA-N
MW275.43 g/mol
LogP4.96
Rot. Bonds5

About 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine

4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine (PubChem CID 118243069) has the molecular formula C16H31F2N and a molecular weight of 275.43 g/mol. Its IUPAC name is 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine
PubChem CID118243069
Molecular FormulaC16H31F2N
Molecular Weight275.43 g/mol
Exact Mass275.24
IUPAC Name4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine
SMILESCCCC(CCC)N1C(C)C(C)C(F)(F)C(C)C1C
InChIInChI=1S/C16H31F2N/c1-7-9-15(10-8-2)19-13(5)11(3)16(17,18)12(4)14(19)6/h11-15H,7-10H2,1-6H3
InChIKeyUHLFLIAIBKGNRV-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine?
The IUPAC name of 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine (CID 118243069) is 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine.
What is the SMILES notation for 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine?
The canonical SMILES for 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine is CCCC(CCC)N1C(C)C(C)C(F)(F)C(C)C1C.
What is the InChIKey of 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine?
The InChIKey is UHLFLIAIBKGNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2N/c1-7-9-15(10-8-2)19-13(5)11(3)16(17,18)12(4)14(19)6/h11-15H,7-10H2,1-6H3.
What are the key properties of 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine?
4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine has a molecular weight of 275.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-heptan-4-yl-2,3,5,6-tetramethylpiperidine is sourced from PubChem (CID 118243069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).