1-(4-tert-butylpiperidin-1-yl)ethanone;ethane

C13H27NO — CID 165078981

IUPAC1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H21NO.C2H6/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-2/h10H,5-8H2,1-4H3;1-2H3
InChIKeyUUMRMJDEIXDCLT-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.32
Rot. Bonds

About 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane

1-(4-tert-butylpiperidin-1-yl)ethanone;ethane (PubChem CID 165078981) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
PubChem CID165078981
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H21NO.C2H6/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-2/h10H,5-8H2,1-4H3;1-2H3
InChIKeyUUMRMJDEIXDCLT-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 159596797
1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 160970317
ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 143567977
1-(4-tert-butylpiperidin-1-yl)prop-2-en-1-one
CID 62091794
4-tert-butyloxane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone
CID 161225048
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116537054
(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone
CID 171417283
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
4-tert-butyl-N-methylazepane-1-carboxamide
CID 115631035

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane (CID 165078981) is 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane is CC.CC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane?
The InChIKey is UUMRMJDEIXDCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-2/h10H,5-8H2,1-4H3;1-2H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane?
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane has a molecular weight of 213.36 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)ethanone;ethane is sourced from PubChem (CID 165078981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).