2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride

C17H25ClN2O4 — CID 3075552

IUPAC2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOC(c2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C17H24N2O4.ClH/c20-17(19-8-10-21-11-9-19)23-13-7-18-6-12-22-16(14-18)15-4-2-1-3-5-15;/h1-5,16H,6-14H2;1H
InChIKeyDNHOXIYZIMYWBF-UHFFFAOYSA-N
MW356.85 g/mol
LogP1.95
Rot. Bonds4

About 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride

2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride (PubChem CID 3075552) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride
PubChem CID3075552
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOC(c2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C17H24N2O4.ClH/c20-17(19-8-10-21-11-9-19)23-13-7-18-6-12-22-16(14-18)15-4-2-1-3-5-15;/h1-5,16H,6-14H2;1H
InChIKeyDNHOXIYZIMYWBF-UHFFFAOYSA-N
XLogP1.95
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride?
The IUPAC name of 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride (CID 3075552) is 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride.
What is the SMILES notation for 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride?
The canonical SMILES for 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride is Cl.O=C(OCCN1CCOC(c2ccccc2)C1)N1CCOCC1.
What is the InChIKey of 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride?
The InChIKey is DNHOXIYZIMYWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c20-17(19-8-10-21-11-9-19)23-13-7-18-6-12-22-16(14-18)15-4-2-1-3-5-15;/h1-5,16H,6-14H2;1H.
What are the key properties of 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride?
2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmorpholin-4-yl)ethyl morpholine-4-carboxylate;hydrochloride is sourced from PubChem (CID 3075552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).