ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate

C16H23IN2O2 — CID 43766193

IUPACethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)c2ccc(I)cc2)CC1
InChIInChI=1S/C16H23IN2O2/c1-3-21-16(20)19-10-8-15(9-11-19)18-12(2)13-4-6-14(17)7-5-13/h4-7,12,15,18H,3,8-11H2,1-2H3
InChIKeyUKIXPJTWJCESLG-UHFFFAOYSA-N
MW402.28 g/mol
LogP3.56
Rot. Bonds4

About ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate

ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate (PubChem CID 43766193) has the molecular formula C16H23IN2O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
PubChem CID43766193
Molecular FormulaC16H23IN2O2
Molecular Weight402.28 g/mol
Exact Mass402.08
IUPAC Nameethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)c2ccc(I)cc2)CC1
InChIInChI=1S/C16H23IN2O2/c1-3-21-16(20)19-10-8-15(9-11-19)18-12(2)13-4-6-14(17)7-5-13/h4-7,12,15,18H,3,8-11H2,1-2H3
InChIKeyUKIXPJTWJCESLG-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791667
1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
CID 43791309
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 106282268
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43747615
ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 125445579
ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate
CID 107876844
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745968
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate (CID 43766193) is ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)c2ccc(I)cc2)CC1.
What is the InChIKey of ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is UKIXPJTWJCESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O2/c1-3-21-16(20)19-10-8-15(9-11-19)18-12(2)13-4-6-14(17)7-5-13/h4-7,12,15,18H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate?
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 402.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 43766193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).