ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate

C22H32N2O3 — CID 173328439

IUPACethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCON=C2CCCCC2c2ccccc2)C1
InChIInChI=1S/C22H32N2O3/c1-2-26-22(25)19-11-8-14-24(17-19)15-16-27-23-21-13-7-6-12-20(21)18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3
InChIKeyXRJUAGOVSTYUCE-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.99
Rot. Bonds7

About ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate

ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate (PubChem CID 173328439) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
PubChem CID173328439
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nameethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCON=C2CCCCC2c2ccccc2)C1
InChIInChI=1S/C22H32N2O3/c1-2-26-22(25)19-11-8-14-24(17-19)15-16-27-23-21-13-7-6-12-20(21)18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3
InChIKeyXRJUAGOVSTYUCE-UHFFFAOYSA-N
XLogP3.99
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate (CID 173328439) is ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCON=C2CCCCC2c2ccccc2)C1.
What is the InChIKey of ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate?
The InChIKey is XRJUAGOVSTYUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-2-26-22(25)19-11-8-14-24(17-19)15-16-27-23-21-13-7-6-12-20(21)18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3.
What are the key properties of ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate?
ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate has a molecular weight of 372.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate is sourced from PubChem (CID 173328439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).