1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine

C20H23FN2O2 — CID 23149260

IUPAC1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESFc1cccc(COC2COc3ccccc3C2N2CCNCC2)c1
InChIInChI=1S/C20H23FN2O2/c21-16-5-3-4-15(12-16)13-24-19-14-25-18-7-2-1-6-17(18)20(19)23-10-8-22-9-11-23/h1-7,12,19-20,22H,8-11,13-14H2
InChIKeyIKVQEIYOZZVOOI-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.75
Rot. Bonds4

About 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine

1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine (PubChem CID 23149260) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine.

Molecular Properties

Compound Name1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine
PubChem CID23149260
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESFc1cccc(COC2COc3ccccc3C2N2CCNCC2)c1
InChIInChI=1S/C20H23FN2O2/c21-16-5-3-4-15(12-16)13-24-19-14-25-18-7-2-1-6-17(18)20(19)23-10-8-22-9-11-23/h1-7,12,19-20,22H,8-11,13-14H2
InChIKeyIKVQEIYOZZVOOI-UHFFFAOYSA-N
XLogP2.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine?
The IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine (CID 23149260) is 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine.
What is the SMILES notation for 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine?
The canonical SMILES for 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine is Fc1cccc(COC2COc3ccccc3C2N2CCNCC2)c1.
What is the InChIKey of 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine?
The InChIKey is IKVQEIYOZZVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-16-5-3-4-15(12-16)13-24-19-14-25-18-7-2-1-6-17(18)20(19)23-10-8-22-9-11-23/h1-7,12,19-20,22H,8-11,13-14H2.
What are the key properties of 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine?
1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine has a molecular weight of 342.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine is sourced from PubChem (CID 23149260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).