ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate

C12H24N2O2 — CID 114506999

IUPACethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
SMILESCCNC1CCN(C(=O)OCC)CC1CC
InChIInChI=1S/C12H24N2O2/c1-4-10-9-14(12(15)16-6-3)8-7-11(10)13-5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyNIJJXRQTRKTJTD-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds4

About ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate

ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate (PubChem CID 114506999) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
PubChem CID114506999
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
SMILESCCNC1CCN(C(=O)OCC)CC1CC
InChIInChI=1S/C12H24N2O2/c1-4-10-9-14(12(15)16-6-3)8-7-11(10)13-5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyNIJJXRQTRKTJTD-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S,4R)-4-(chloroamino)-3-methylpiperidine-1-carboxylate
CID 89048402
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 114506809
2-cyclohexyl-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]ethanone
CID 114506671
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 114506784
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]propanamide
CID 114507497
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115707
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 114506670
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-methyloxolan-2-yl)methanone
CID 114506649
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 114507471
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 114506842

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate (CID 114506999) is ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate is CCNC1CCN(C(=O)OCC)CC1CC.
What is the InChIKey of ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate?
The InChIKey is NIJJXRQTRKTJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10-9-14(12(15)16-6-3)8-7-11(10)13-5-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate?
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 114506999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).