1-tert-butyl-3,3-dimethylpiperidine

C11H23N — CID 14356856

IUPAC1-tert-butyl-3,3-dimethylpiperidine
SMILESCC1(C)CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H23N/c1-10(2,3)12-8-6-7-11(4,5)9-12/h6-9H2,1-5H3
InChIKeyKRIZNNSXWNQNOS-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds

About 1-tert-butyl-3,3-dimethylpiperidine

1-tert-butyl-3,3-dimethylpiperidine (PubChem CID 14356856) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-tert-butyl-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-3,3-dimethylpiperidine
PubChem CID14356856
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-tert-butyl-3,3-dimethylpiperidine
SMILESCC1(C)CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H23N/c1-10(2,3)12-8-6-7-11(4,5)9-12/h6-9H2,1-5H3
InChIKeyKRIZNNSXWNQNOS-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-dimethylpiperidine?
The IUPAC name of 1-tert-butyl-3,3-dimethylpiperidine (CID 14356856) is 1-tert-butyl-3,3-dimethylpiperidine.
What is the SMILES notation for 1-tert-butyl-3,3-dimethylpiperidine?
The canonical SMILES for 1-tert-butyl-3,3-dimethylpiperidine is CC1(C)CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3,3-dimethylpiperidine?
The InChIKey is KRIZNNSXWNQNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)12-8-6-7-11(4,5)9-12/h6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-3,3-dimethylpiperidine?
1-tert-butyl-3,3-dimethylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-dimethylpiperidine is sourced from PubChem (CID 14356856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).