[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone

C20H30FN3O — CID 883940

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H30FN3O/c1-16(2)15-22-9-7-17(8-10-22)20(25)24-13-11-23(12-14-24)19-6-4-3-5-18(19)21/h3-6,16-17H,7-15H2,1-2H3
InChIKeyXJMRLZOESHEFLU-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.84
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone (PubChem CID 883940) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
PubChem CID883940
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H30FN3O/c1-16(2)15-22-9-7-17(8-10-22)20(25)24-13-11-23(12-14-24)19-6-4-3-5-18(19)21/h3-6,16-17H,7-15H2,1-2H3
InChIKeyXJMRLZOESHEFLU-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone (CID 883940) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone is CC(C)CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The InChIKey is XJMRLZOESHEFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-16(2)15-22-9-7-17(8-10-22)20(25)24-13-11-23(12-14-24)19-6-4-3-5-18(19)21/h3-6,16-17H,7-15H2,1-2H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone has a molecular weight of 347.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 883940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).