3-tert-butyl-1-ethylpiperidine;ethane

C13H29N — CID 155704046

IUPAC3-tert-butyl-1-ethylpiperidine;ethane
SMILESCC.CCN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C11H23N.C2H6/c1-5-12-8-6-7-10(9-12)11(2,3)4;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyDGPLHNNZJKMHMY-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds1

About 3-tert-butyl-1-ethylpiperidine;ethane

3-tert-butyl-1-ethylpiperidine;ethane (PubChem CID 155704046) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3-tert-butyl-1-ethylpiperidine;ethane.

Molecular Properties

Compound Name3-tert-butyl-1-ethylpiperidine;ethane
PubChem CID155704046
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3-tert-butyl-1-ethylpiperidine;ethane
SMILESCC.CCN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C11H23N.C2H6/c1-5-12-8-6-7-10(9-12)11(2,3)4;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyDGPLHNNZJKMHMY-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982971
3-tert-butyl-1-prop-2-enylpiperidine
CID 127001155
3-(3-tert-butylpiperidin-1-yl)propanenitrile
CID 58395073
2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid
CID 105460001
ethane;1-ethyl-3-methylpiperidine
CID 91361629
ethyl 2-(3-tert-butylpiperidin-1-yl)acetate
CID 176945818
3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
CID 152833336
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
1-(3-tert-butylpiperidin-1-yl)propan-1-one
CID 59751403

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethylpiperidine;ethane?
The IUPAC name of 3-tert-butyl-1-ethylpiperidine;ethane (CID 155704046) is 3-tert-butyl-1-ethylpiperidine;ethane.
What is the SMILES notation for 3-tert-butyl-1-ethylpiperidine;ethane?
The canonical SMILES for 3-tert-butyl-1-ethylpiperidine;ethane is CC.CCN1CCCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-ethylpiperidine;ethane?
The InChIKey is DGPLHNNZJKMHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-5-12-8-6-7-10(9-12)11(2,3)4;1-2/h10H,5-9H2,1-4H3;1-2H3.
What are the key properties of 3-tert-butyl-1-ethylpiperidine;ethane?
3-tert-butyl-1-ethylpiperidine;ethane has a molecular weight of 199.38 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethylpiperidine;ethane is sourced from PubChem (CID 155704046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).