1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine

C23H30N2O — CID 57304362

IUPAC1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine
SMILESCN1CCN(CCCCOC(=Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-24-15-17-25(18-16-24)14-8-9-19-26-23(22-12-6-3-7-13-22)20-21-10-4-2-5-11-21/h2-7,10-13,20H,8-9,14-19H2,1H3
InChIKeySWGDVPZGNHAZSR-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.23
Rot. Bonds8

About 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine

1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine (PubChem CID 57304362) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine
PubChem CID57304362
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine
SMILESCN1CCN(CCCCOC(=Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-24-15-17-25(18-16-24)14-8-9-19-26-23(22-12-6-3-7-13-22)20-21-10-4-2-5-11-21/h2-7,10-13,20H,8-9,14-19H2,1H3
InChIKeySWGDVPZGNHAZSR-UHFFFAOYSA-N
XLogP4.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine (CID 57304362) is 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine is CN1CCN(CCCCOC(=Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine?
The InChIKey is SWGDVPZGNHAZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-24-15-17-25(18-16-24)14-8-9-19-26-23(22-12-6-3-7-13-22)20-21-10-4-2-5-11-21/h2-7,10-13,20H,8-9,14-19H2,1H3.
What are the key properties of 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine?
1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine is sourced from PubChem (CID 57304362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).