1-tert-butyl-2,4,4,6-tetramethylpiperidine

C13H27N — CID 20694497

IUPAC1-tert-butyl-2,4,4,6-tetramethylpiperidine
SMILESCC1CC(C)(C)CC(C)N1C(C)(C)C
InChIInChI=1S/C13H27N/c1-10-8-13(6,7)9-11(2)14(10)12(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyKUSFQHHWXXUHHM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.68
Rot. Bonds

About 1-tert-butyl-2,4,4,6-tetramethylpiperidine

1-tert-butyl-2,4,4,6-tetramethylpiperidine (PubChem CID 20694497) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-tert-butyl-2,4,4,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-2,4,4,6-tetramethylpiperidine
PubChem CID20694497
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-tert-butyl-2,4,4,6-tetramethylpiperidine
SMILESCC1CC(C)(C)CC(C)N1C(C)(C)C
InChIInChI=1S/C13H27N/c1-10-8-13(6,7)9-11(2)14(10)12(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyKUSFQHHWXXUHHM-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4,4,6-tetramethylpiperidine?
The IUPAC name of 1-tert-butyl-2,4,4,6-tetramethylpiperidine (CID 20694497) is 1-tert-butyl-2,4,4,6-tetramethylpiperidine.
What is the SMILES notation for 1-tert-butyl-2,4,4,6-tetramethylpiperidine?
The canonical SMILES for 1-tert-butyl-2,4,4,6-tetramethylpiperidine is CC1CC(C)(C)CC(C)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,4,4,6-tetramethylpiperidine?
The InChIKey is KUSFQHHWXXUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10-8-13(6,7)9-11(2)14(10)12(3,4)5/h10-11H,8-9H2,1-7H3.
What are the key properties of 1-tert-butyl-2,4,4,6-tetramethylpiperidine?
1-tert-butyl-2,4,4,6-tetramethylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4,4,6-tetramethylpiperidine is sourced from PubChem (CID 20694497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).