1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine

C17H35N — CID 58772476

IUPAC1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine
SMILESCC1C(C)N(C(C)(C)C)C(C)C(C)C1C(C)(C)C
InChIInChI=1S/C17H35N/c1-11-13(3)18(17(8,9)10)14(4)12(2)15(11)16(5,6)7/h11-15H,1-10H3
InChIKeyDPAGZBQCPYQFDC-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.81
Rot. Bonds

About 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine

1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine (PubChem CID 58772476) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine.

Molecular Properties

Compound Name1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine
PubChem CID58772476
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine
SMILESCC1C(C)N(C(C)(C)C)C(C)C(C)C1C(C)(C)C
InChIInChI=1S/C17H35N/c1-11-13(3)18(17(8,9)10)14(4)12(2)15(11)16(5,6)7/h11-15H,1-10H3
InChIKeyDPAGZBQCPYQFDC-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine?
The IUPAC name of 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine (CID 58772476) is 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine.
What is the SMILES notation for 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine?
The canonical SMILES for 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine is CC1C(C)N(C(C)(C)C)C(C)C(C)C1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine?
The InChIKey is DPAGZBQCPYQFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-11-13(3)18(17(8,9)10)14(4)12(2)15(11)16(5,6)7/h11-15H,1-10H3.
What are the key properties of 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine?
1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine has a molecular weight of 253.47 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine is sourced from PubChem (CID 58772476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).