1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine

C21H26N2O3 — CID 3067672

IUPAC1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C3CCOc4ccc(OC)cc43)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-24-17-5-3-16(4-6-17)22-10-12-23(13-11-22)20-9-14-26-21-8-7-18(25-2)15-19(20)21/h3-8,15,20H,9-14H2,1-2H3
InChIKeyMWAIVNBEUQMTQE-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.35
Rot. Bonds4

About 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine

1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine (PubChem CID 3067672) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine
PubChem CID3067672
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C3CCOc4ccc(OC)cc43)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-24-17-5-3-16(4-6-17)22-10-12-23(13-11-22)20-9-14-26-21-8-7-18(25-2)15-19(20)21/h3-8,15,20H,9-14H2,1-2H3
InChIKeyMWAIVNBEUQMTQE-UHFFFAOYSA-N
XLogP3.35
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine (CID 3067672) is 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(C3CCOc4ccc(OC)cc43)CC2)cc1.
What is the InChIKey of 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine?
The InChIKey is MWAIVNBEUQMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-24-17-5-3-16(4-6-17)22-10-12-23(13-11-22)20-9-14-26-21-8-7-18(25-2)15-19(20)21/h3-8,15,20H,9-14H2,1-2H3.
What are the key properties of 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine?
1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine has a molecular weight of 354.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 3067672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).