4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine

C23H30N2O — CID 134273889

IUPAC4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine
SMILESc1ccc(CCN2CCOC(c3cccc(N4CCCCC4)c3)C2)cc1
InChIInChI=1S/C23H30N2O/c1-3-8-20(9-4-1)12-15-24-16-17-26-23(19-24)21-10-7-11-22(18-21)25-13-5-2-6-14-25/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2
InChIKeyYGNIECKZUQJUFW-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.29
Rot. Bonds5

About 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine

4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine (PubChem CID 134273889) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine
PubChem CID134273889
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine
SMILESc1ccc(CCN2CCOC(c3cccc(N4CCCCC4)c3)C2)cc1
InChIInChI=1S/C23H30N2O/c1-3-8-20(9-4-1)12-15-24-16-17-26-23(19-24)21-10-7-11-22(18-21)25-13-5-2-6-14-25/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2
InChIKeyYGNIECKZUQJUFW-UHFFFAOYSA-N
XLogP4.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine?
The IUPAC name of 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine (CID 134273889) is 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine.
What is the SMILES notation for 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine?
The canonical SMILES for 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine is c1ccc(CCN2CCOC(c3cccc(N4CCCCC4)c3)C2)cc1.
What is the InChIKey of 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine?
The InChIKey is YGNIECKZUQJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-8-20(9-4-1)12-15-24-16-17-26-23(19-24)21-10-7-11-22(18-21)25-13-5-2-6-14-25/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2.
What are the key properties of 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine?
4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine has a molecular weight of 350.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-2-(3-piperidin-1-ylphenyl)morpholine is sourced from PubChem (CID 134273889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).