1,4-ditert-butyl-4-methylpiperidine

C14H29N — CID 22972519

IUPAC1,4-ditert-butyl-4-methylpiperidine
SMILESCC(C)(C)N1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6/h8-11H2,1-7H3
InChIKeyJSSNQRIRKLFFTA-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds

About 1,4-ditert-butyl-4-methylpiperidine

1,4-ditert-butyl-4-methylpiperidine (PubChem CID 22972519) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1,4-ditert-butyl-4-methylpiperidine.

Molecular Properties

Compound Name1,4-ditert-butyl-4-methylpiperidine
PubChem CID22972519
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1,4-ditert-butyl-4-methylpiperidine
SMILESCC(C)(C)N1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6/h8-11H2,1-7H3
InChIKeyJSSNQRIRKLFFTA-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
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-4-methylpiperidine?
The IUPAC name of 1,4-ditert-butyl-4-methylpiperidine (CID 22972519) is 1,4-ditert-butyl-4-methylpiperidine.
What is the SMILES notation for 1,4-ditert-butyl-4-methylpiperidine?
The canonical SMILES for 1,4-ditert-butyl-4-methylpiperidine is CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of 1,4-ditert-butyl-4-methylpiperidine?
The InChIKey is JSSNQRIRKLFFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6/h8-11H2,1-7H3.
What are the key properties of 1,4-ditert-butyl-4-methylpiperidine?
1,4-ditert-butyl-4-methylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 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-4-methylpiperidine is sourced from PubChem (CID 22972519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).