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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Related Compounds

(3R)-1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylic acid
CID 54120675
ethyl (3R)-1-[2-[(2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 54388268
ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 54561569
ethyl 1-[2-[(2-phenylcyclohex-2-en-1-ylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 173328413
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl (3R)-1-[2-[(Z)-(2-methylphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylate
CID 131719893
ethyl (3R)-1-[2-[bis(3-ethylthiophen-2-yl)methylideneamino]oxyethyl]piperidine-3-carboxylate
CID 10838603
ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylate
CID 67767181
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
ethyl (3R)-1-[2-[[(2-methylphenyl)-(3-methylthiophen-2-yl)methylidene]amino]oxyethyl]piperidine-3-carboxylate
CID 54455965

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).