ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate

C12H24N2O3 — CID 43387981

IUPACethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate
SMILESCCOCCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C12H24N2O3/c1-3-16-10-7-13-11-5-8-14(9-6-11)12(15)17-4-2/h11,13H,3-10H2,1-2H3
InChIKeyUMEOCPNMPGEJJD-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds6

About ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate

ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate (PubChem CID 43387981) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate
PubChem CID43387981
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate
SMILESCCOCCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C12H24N2O3/c1-3-16-10-7-13-11-5-8-14(9-6-11)12(15)17-4-2/h11,13H,3-10H2,1-2H3
InChIKeyUMEOCPNMPGEJJD-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate (CID 43387981) is ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate is CCOCCNC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate?
The InChIKey is UMEOCPNMPGEJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-16-10-7-13-11-5-8-14(9-6-11)12(15)17-4-2/h11,13H,3-10H2,1-2H3.
What are the key properties of ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate?
ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43387981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).