ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate

C20H30N2O3 — CID 20833920

IUPACethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC2CNCCO2)CC1
InChIInChI=1S/C20H30N2O3/c1-2-24-19(23)20(17-6-4-3-5-7-17)9-13-22(14-10-20)12-8-18-16-21-11-15-25-18/h3-7,18,21H,2,8-16H2,1H3
InChIKeyFEAJPNPROVTELL-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.96
Rot. Bonds6

About ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate

ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate (PubChem CID 20833920) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate
PubChem CID20833920
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nameethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC2CNCCO2)CC1
InChIInChI=1S/C20H30N2O3/c1-2-24-19(23)20(17-6-4-3-5-7-17)9-13-22(14-10-20)12-8-18-16-21-11-15-25-18/h3-7,18,21H,2,8-16H2,1H3
InChIKeyFEAJPNPROVTELL-UHFFFAOYSA-N
XLogP1.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate (CID 20833920) is ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCC2CNCCO2)CC1.
What is the InChIKey of ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate?
The InChIKey is FEAJPNPROVTELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-24-19(23)20(17-6-4-3-5-7-17)9-13-22(14-10-20)12-8-18-16-21-11-15-25-18/h3-7,18,21H,2,8-16H2,1H3.
What are the key properties of ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate?
ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 20833920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).