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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Related Compounds

1-tert-butyl-3,3-dimethylazetidine
CID 14090352
3-(3,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid
CID 164650526
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 168727113
2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66181206
3-(aminomethyl)-1-tert-butylpiperidin-3-ol
CID 115017167
2-tert-butyl-9-methyl-2-azaspiro[5.5]undecane
CID 134582203
8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane
CID 159153104
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
CID 157050293
1-tert-butyl-3-methylpyrrolidine-3-carbonitrile
CID 129119605
1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine
CID 175425681
3,3-dimethyl-1-oxidopiperidine
CID 87114424
7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
CID 118001208

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).