(3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate

C22H25FN2O3 — CID 155511252

IUPAC(3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESO=C(Oc1cccc(N2CCOCC2)c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O3/c23-19-6-4-17(5-7-19)18-8-10-25(11-9-18)22(26)28-21-3-1-2-20(16-21)24-12-14-27-15-13-24/h1-7,16,18H,8-15H2
InChIKeyINROWVYUSUEXPE-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.04
Rot. Bonds3

About (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate

(3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 155511252) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate
PubChem CID155511252
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name(3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESO=C(Oc1cccc(N2CCOCC2)c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O3/c23-19-6-4-17(5-7-19)18-8-10-25(11-9-18)22(26)28-21-3-1-2-20(16-21)24-12-14-27-15-13-24/h1-7,16,18H,8-15H2
InChIKeyINROWVYUSUEXPE-UHFFFAOYSA-N
XLogP4.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate (CID 155511252) is (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate is O=C(Oc1cccc(N2CCOCC2)c1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is INROWVYUSUEXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-19-6-4-17(5-7-19)18-8-10-25(11-9-18)22(26)28-21-3-1-2-20(16-21)24-12-14-27-15-13-24/h1-7,16,18H,8-15H2.
What are the key properties of (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate?
(3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 384.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylphenyl) 4-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 155511252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).