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

C11H22N2O2 — CID 22278883

IUPACethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC)C(CC)C1
InChIInChI=1S/C11H22N2O2/c1-4-9-8-13(11(14)15-5-2)7-6-10(9)12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyTWPAXFMAYRBCMB-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds3

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

ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate (PubChem CID 22278883) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate
PubChem CID22278883
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC)C(CC)C1
InChIInChI=1S/C11H22N2O2/c1-4-9-8-13(11(14)15-5-2)7-6-10(9)12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyTWPAXFMAYRBCMB-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate (CID 22278883) is ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC)C(CC)C1.
What is the InChIKey of ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate?
The InChIKey is TWPAXFMAYRBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-9-8-13(11(14)15-5-2)7-6-10(9)12-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate?
ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 22278883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).