[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone

C23H27FN2O2 — CID 69244219

IUPAC[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1)N1CCOCC1
InChIInChI=1S/C23H27FN2O2/c24-21-3-1-2-20(16-21)22(18-8-10-25-11-9-18)17-4-6-19(7-5-17)23(27)26-12-14-28-15-13-26/h1-7,16,18,22,25H,8-15H2
InChIKeyYJHRFIDSOSCBGR-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.43
Rot. Bonds4

About [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone

[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 69244219) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone
PubChem CID69244219
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1)N1CCOCC1
InChIInChI=1S/C23H27FN2O2/c24-21-3-1-2-20(16-21)22(18-8-10-25-11-9-18)17-4-6-19(7-5-17)23(27)26-12-14-28-15-13-26/h1-7,16,18,22,25H,8-15H2
InChIKeyYJHRFIDSOSCBGR-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone (CID 69244219) is [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1)N1CCOCC1.
What is the InChIKey of [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YJHRFIDSOSCBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-21-3-1-2-20(16-21)22(18-8-10-25-11-9-18)17-4-6-19(7-5-17)23(27)26-12-14-28-15-13-26/h1-7,16,18,22,25H,8-15H2.
What are the key properties of [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone?
[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 382.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 69244219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).