ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate

C16H32N2O2 — CID 62329860

IUPACethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCN1CCC(C)CC1C)C(=O)OCC
InChIInChI=1S/C16H32N2O2/c1-6-17-16(5,15(19)20-7-2)9-11-18-10-8-13(3)12-14(18)4/h13-14,17H,6-12H2,1-5H3
InChIKeyLANOGQBSKFZKAG-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds7

About ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate

ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate (PubChem CID 62329860) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
PubChem CID62329860
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCN1CCC(C)CC1C)C(=O)OCC
InChIInChI=1S/C16H32N2O2/c1-6-17-16(5,15(19)20-7-2)9-11-18-10-8-13(3)12-14(18)4/h13-14,17H,6-12H2,1-5H3
InChIKeyLANOGQBSKFZKAG-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate 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

ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate
CID 62332368
methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 55062051
ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 62122726
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 114087381
5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 62330562
ethyl 6-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylhexanoate
CID 79177873
5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 62331839
methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 62330730
methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55247668
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
CID 63165725
ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
CID 103538059

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The IUPAC name of ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate (CID 62329860) is ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate.
What is the SMILES notation for ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The canonical SMILES for ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate is CCNC(C)(CCN1CCC(C)CC1C)C(=O)OCC.
What is the InChIKey of ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The InChIKey is LANOGQBSKFZKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-17-16(5,15(19)20-7-2)9-11-18-10-8-13(3)12-14(18)4/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate is sourced from PubChem (CID 62329860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).