4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine

C21H26N2O — CID 31106498

IUPAC4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine
SMILESc1ccc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc1
InChIInChI=1S/C21H26N2O/c1-2-5-18(6-3-1)19-7-4-8-21(17-19)22-11-9-20(10-12-22)23-13-15-24-16-14-23/h1-8,17,20H,9-16H2
InChIKeyQOMHXXMOYFXTSS-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.65
Rot. Bonds3

About 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine

4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine (PubChem CID 31106498) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine
PubChem CID31106498
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine
SMILESc1ccc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc1
InChIInChI=1S/C21H26N2O/c1-2-5-18(6-3-1)19-7-4-8-21(17-19)22-11-9-20(10-12-22)23-13-15-24-16-14-23/h1-8,17,20H,9-16H2
InChIKeyQOMHXXMOYFXTSS-UHFFFAOYSA-N
XLogP3.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine (CID 31106498) is 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine is c1ccc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc1.
What is the InChIKey of 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine?
The InChIKey is QOMHXXMOYFXTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-5-18(6-3-1)19-7-4-8-21(17-19)22-11-9-20(10-12-22)23-13-15-24-16-14-23/h1-8,17,20H,9-16H2.
What are the key properties of 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine?
4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine has a molecular weight of 322.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 31106498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).