(4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone

C16H21FN2O2 — CID 754216

IUPAC(4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-14-3-1-13(2-4-14)16(20)19-7-5-15(6-8-19)18-9-11-21-12-10-18/h1-4,15H,5-12H2
InChIKeyVXLOSOHCDYKCSX-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.76
Rot. Bonds2

About (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone

(4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 754216) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID754216
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-14-3-1-13(2-4-14)16(20)19-7-5-15(6-8-19)18-9-11-21-12-10-18/h1-4,15H,5-12H2
InChIKeyVXLOSOHCDYKCSX-UHFFFAOYSA-N
XLogP1.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 754216) is (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(F)cc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is VXLOSOHCDYKCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-3-1-13(2-4-14)16(20)19-7-5-15(6-8-19)18-9-11-21-12-10-18/h1-4,15H,5-12H2.
What are the key properties of (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
(4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 292.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 754216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).