ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate

C15H28N2O3 — CID 60994066

IUPACethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC2CCCO2)CCN(CC)CC1
InChIInChI=1S/C15H28N2O3/c1-3-17-9-7-15(8-10-17,14(18)19-4-2)16-12-13-6-5-11-20-13/h13,16H,3-12H2,1-2H3
InChIKeyWPLGROOZOJFSEQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds6

About ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate

ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate (PubChem CID 60994066) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
PubChem CID60994066
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC2CCCO2)CCN(CC)CC1
InChIInChI=1S/C15H28N2O3/c1-3-17-9-7-15(8-10-17,14(18)19-4-2)16-12-13-6-5-11-20-13/h13,16H,3-12H2,1-2H3
InChIKeyWPLGROOZOJFSEQ-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate (CID 60994066) is ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate is CCOC(=O)C1(NCC2CCCO2)CCN(CC)CC1.
What is the InChIKey of ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The InChIKey is WPLGROOZOJFSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-17-9-7-15(8-10-17,14(18)19-4-2)16-12-13-6-5-11-20-13/h13,16H,3-12H2,1-2H3.
What are the key properties of ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 60994066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).