1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone

C13H26N2O — CID 62084699

IUPAC1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-14-10-12(16)15-8-6-11(7-9-15)13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyMYASODDANZWLHB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds3

About 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone

1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone (PubChem CID 62084699) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
PubChem CID62084699
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-14-10-12(16)15-8-6-11(7-9-15)13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyMYASODDANZWLHB-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
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
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone (CID 62084699) is 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone is CCNCC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone?
The InChIKey is MYASODDANZWLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-14-10-12(16)15-8-6-11(7-9-15)13(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone?
1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone has a molecular weight of 226.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 62084699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).