1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine

C22H25FN2O2 — CID 122470259

IUPAC1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(CN1CCN(C)CC1)CO2
InChIInChI=1S/C22H25FN2O2/c1-24-9-11-25(12-10-24)14-17-15-27-21-8-7-19(26-2)13-20(21)22(17)16-3-5-18(23)6-4-16/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyNEFMHAKZDZOGEQ-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.28
Rot. Bonds4

About 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine

1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine (PubChem CID 122470259) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine
PubChem CID122470259
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(CN1CCN(C)CC1)CO2
InChIInChI=1S/C22H25FN2O2/c1-24-9-11-25(12-10-24)14-17-15-27-21-8-7-19(26-2)13-20(21)22(17)16-3-5-18(23)6-4-16/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyNEFMHAKZDZOGEQ-UHFFFAOYSA-N
XLogP3.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine (CID 122470259) is 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine is COc1ccc2c(c1)C(c1ccc(F)cc1)=C(CN1CCN(C)CC1)CO2.
What is the InChIKey of 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine?
The InChIKey is NEFMHAKZDZOGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-24-9-11-25(12-10-24)14-17-15-27-21-8-7-19(26-2)13-20(21)22(17)16-3-5-18(23)6-4-16/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine?
1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine has a molecular weight of 368.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 122470259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).