4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine

C17H23F3N2O2 — CID 56873143

IUPAC4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESCOc1ccc(N2CCC(N3CCOC(C(F)(F)F)C3)CC2)cc1
InChIInChI=1S/C17H23F3N2O2/c1-23-15-4-2-13(3-5-15)21-8-6-14(7-9-21)22-10-11-24-16(12-22)17(18,19)20/h2-5,14,16H,6-12H2,1H3
InChIKeyVINQWZPHCWAEGU-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.93
Rot. Bonds3

About 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine

4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine (PubChem CID 56873143) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine
PubChem CID56873143
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESCOc1ccc(N2CCC(N3CCOC(C(F)(F)F)C3)CC2)cc1
InChIInChI=1S/C17H23F3N2O2/c1-23-15-4-2-13(3-5-15)21-8-6-14(7-9-21)22-10-11-24-16(12-22)17(18,19)20/h2-5,14,16H,6-12H2,1H3
InChIKeyVINQWZPHCWAEGU-UHFFFAOYSA-N
XLogP2.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine (CID 56873143) is 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine is COc1ccc(N2CCC(N3CCOC(C(F)(F)F)C3)CC2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine?
The InChIKey is VINQWZPHCWAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-23-15-4-2-13(3-5-15)21-8-6-14(7-9-21)22-10-11-24-16(12-22)17(18,19)20/h2-5,14,16H,6-12H2,1H3.
What are the key properties of 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine?
4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine has a molecular weight of 344.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56873143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).