1-tert-butyl-2,3,3-trimethylpiperidine

C12H25N — CID 134197501

IUPAC1-tert-butyl-2,3,3-trimethylpiperidine
SMILESCC1N(C(C)(C)C)CCCC1(C)C
InChIInChI=1S/C12H25N/c1-10-12(5,6)8-7-9-13(10)11(2,3)4/h10H,7-9H2,1-6H3
InChIKeyLAHJXOWUBDAZHE-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds

About 1-tert-butyl-2,3,3-trimethylpiperidine

1-tert-butyl-2,3,3-trimethylpiperidine (PubChem CID 134197501) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-tert-butyl-2,3,3-trimethylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-2,3,3-trimethylpiperidine
PubChem CID134197501
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-tert-butyl-2,3,3-trimethylpiperidine
SMILESCC1N(C(C)(C)C)CCCC1(C)C
InChIInChI=1S/C12H25N/c1-10-12(5,6)8-7-9-13(10)11(2,3)4/h10H,7-9H2,1-6H3
InChIKeyLAHJXOWUBDAZHE-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,3-trimethylpiperidine?
The IUPAC name of 1-tert-butyl-2,3,3-trimethylpiperidine (CID 134197501) is 1-tert-butyl-2,3,3-trimethylpiperidine.
What is the SMILES notation for 1-tert-butyl-2,3,3-trimethylpiperidine?
The canonical SMILES for 1-tert-butyl-2,3,3-trimethylpiperidine is CC1N(C(C)(C)C)CCCC1(C)C.
What is the InChIKey of 1-tert-butyl-2,3,3-trimethylpiperidine?
The InChIKey is LAHJXOWUBDAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10-12(5,6)8-7-9-13(10)11(2,3)4/h10H,7-9H2,1-6H3.
What are the key properties of 1-tert-butyl-2,3,3-trimethylpiperidine?
1-tert-butyl-2,3,3-trimethylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,3-trimethylpiperidine is sourced from PubChem (CID 134197501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).