ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate

C18H27N3O3 — CID 164516839

IUPACethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(N3CCOCC3)ccc2N)CC1
InChIInChI=1S/C18H27N3O3/c1-2-24-18(22)14-5-7-21(8-6-14)17-13-15(3-4-16(17)19)20-9-11-23-12-10-20/h3-4,13-14H,2,5-12,19H2,1H3
InChIKeyLGVISIPNPSTDGA-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.88
Rot. Bonds4

About ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate

ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate (PubChem CID 164516839) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate
PubChem CID164516839
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(N3CCOCC3)ccc2N)CC1
InChIInChI=1S/C18H27N3O3/c1-2-24-18(22)14-5-7-21(8-6-14)17-13-15(3-4-16(17)19)20-9-11-23-12-10-20/h3-4,13-14H,2,5-12,19H2,1H3
InChIKeyLGVISIPNPSTDGA-UHFFFAOYSA-N
XLogP1.88
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate (CID 164516839) is ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(N3CCOCC3)ccc2N)CC1.
What is the InChIKey of ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate?
The InChIKey is LGVISIPNPSTDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-24-18(22)14-5-7-21(8-6-14)17-13-15(3-4-16(17)19)20-9-11-23-12-10-20/h3-4,13-14H,2,5-12,19H2,1H3.
What are the key properties of ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate?
ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-5-morpholin-4-ylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 164516839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).