1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine

C20H24N2O2 — CID 3067666

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(C3CCOc4ccccc43)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-23-17-6-4-5-16(15-17)21-10-12-22(13-11-21)19-9-14-24-20-8-3-2-7-18(19)20/h2-8,15,19H,9-14H2,1H3
InChIKeyNAJHFOHSRDSHDF-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.34
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine

1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine (PubChem CID 3067666) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine
PubChem CID3067666
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(C3CCOc4ccccc43)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-23-17-6-4-5-16(15-17)21-10-12-22(13-11-21)19-9-14-24-20-8-3-2-7-18(19)20/h2-8,15,19H,9-14H2,1H3
InChIKeyNAJHFOHSRDSHDF-UHFFFAOYSA-N
XLogP3.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine (CID 3067666) is 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(C3CCOc4ccccc43)CC2)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine?
The InChIKey is NAJHFOHSRDSHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-23-17-6-4-5-16(15-17)21-10-12-22(13-11-21)19-9-14-24-20-8-3-2-7-18(19)20/h2-8,15,19H,9-14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine?
1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine has a molecular weight of 324.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 3067666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).