4-(3,3-dimethylbutyl)-1-ethylpiperidine

C13H27N — CID 58286807

IUPAC4-(3,3-dimethylbutyl)-1-ethylpiperidine
SMILESCCN1CCC(CCC(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-5-14-10-7-12(8-11-14)6-9-13(2,3)4/h12H,5-11H2,1-4H3
InChIKeyZLZMVEOPSQZJNE-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds3

About 4-(3,3-dimethylbutyl)-1-ethylpiperidine

4-(3,3-dimethylbutyl)-1-ethylpiperidine (PubChem CID 58286807) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-1-ethylpiperidine
PubChem CID58286807
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-(3,3-dimethylbutyl)-1-ethylpiperidine
SMILESCCN1CCC(CCC(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-5-14-10-7-12(8-11-14)6-9-13(2,3)4/h12H,5-11H2,1-4H3
InChIKeyZLZMVEOPSQZJNE-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-1-ethylpiperidine;hydrofluoride
CID 175875172
1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine
CID 171641837
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
2,2-dimethylpropyl-[(1-ethylpiperidin-4-yl)methyl]-dimethylsilane
CID 58855776
1,4-diethylpiperidine;ethane
CID 143709904
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
2-(3,3-dimethylbutyl)-1-ethylpyrrolidine
CID 58110544
1-ethyl-4-(2-fluoropropan-2-yl)piperidine
CID 122428509
1,4-diethylazepane
CID 67522864
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-1-ethylpiperidine?
The IUPAC name of 4-(3,3-dimethylbutyl)-1-ethylpiperidine (CID 58286807) is 4-(3,3-dimethylbutyl)-1-ethylpiperidine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-1-ethylpiperidine?
The canonical SMILES for 4-(3,3-dimethylbutyl)-1-ethylpiperidine is CCN1CCC(CCC(C)(C)C)CC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-1-ethylpiperidine?
The InChIKey is ZLZMVEOPSQZJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-14-10-7-12(8-11-14)6-9-13(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutyl)-1-ethylpiperidine?
4-(3,3-dimethylbutyl)-1-ethylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-1-ethylpiperidine is sourced from PubChem (CID 58286807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).