ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate

C12H24N2O2 — CID 123873805

IUPACethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CC(NC)CC1CC
InChIInChI=1S/C12H24N2O2/c1-5-11-8-10(13-4)7-9(3)14(11)12(15)16-6-2/h9-11,13H,5-8H2,1-4H3
InChIKeyNQWKJEKQSHONEU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.99
Rot. Bonds3

About ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate

ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate (PubChem CID 123873805) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate
PubChem CID123873805
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CC(NC)CC1CC
InChIInChI=1S/C12H24N2O2/c1-5-11-8-10(13-4)7-9(3)14(11)12(15)16-6-2/h9-11,13H,5-8H2,1-4H3
InChIKeyNQWKJEKQSHONEU-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate
CID 121013120
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CID 83989692
ethyl (2R)-2-methylaziridine-1-carboxylate
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ethyl (1S,4R)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 11062780
ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70658238
ethyl (2S,3R,5S)-3-(methanesulfonamido)-5-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 155054637
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate
CID 163225318
[1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate
CID 174771297
propan-2-yl (2R)-4-amino-2,6-diethylpiperidine-1-carboxylate
CID 143612384
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CID 83220261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate (CID 123873805) is ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate is CCOC(=O)N1C(C)CC(NC)CC1CC.
What is the InChIKey of ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate?
The InChIKey is NQWKJEKQSHONEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-11-8-10(13-4)7-9(3)14(11)12(15)16-6-2/h9-11,13H,5-8H2,1-4H3.
What are the key properties of ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate?
ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 123873805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).