1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone

C13H26N2O — CID 129060789

IUPAC1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone
SMILESCCNC1(C(C)=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-6-14-13(11(2)16)7-9-15(10-8-13)12(3,4)5/h14H,6-10H2,1-5H3
InChIKeyDALRYGALJRFMTF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.82
Rot. Bonds3

About 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone

1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone (PubChem CID 129060789) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone
PubChem CID129060789
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone
SMILESCCNC1(C(C)=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-6-14-13(11(2)16)7-9-15(10-8-13)12(3,4)5/h14H,6-10H2,1-5H3
InChIKeyDALRYGALJRFMTF-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone
CID 118309199
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
1-tert-butylpiperidine-4,4-dicarboxylic acid
CID 117007985
4-(ethylamino)-1-iodopiperidine-4-carboxamide
CID 145006670
bis[1-(ethylamino)cyclobutyl]methanone
CID 154353142
1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid
CID 115030206
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide
CID 20752804
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
[3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone
CID 82511434
1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769

Frequently Asked Questions

What is the IUPAC name of 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone (CID 129060789) is 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone is CCNC1(C(C)=O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone?
The InChIKey is DALRYGALJRFMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-14-13(11(2)16)7-9-15(10-8-13)12(3,4)5/h14H,6-10H2,1-5H3.
What are the key properties of 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone?
1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone has a molecular weight of 226.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone is sourced from PubChem (CID 129060789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).