1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine

C29H34N2O — CID 12888164

IUPAC1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C29H34N2O/c1-3-28(24-10-6-4-7-11-24)29(25-12-8-5-9-13-25)26-14-16-27(17-15-26)32-23-22-31-20-18-30(2)19-21-31/h4-17H,3,18-23H2,1-2H3/b29-28-
InChIKeyBNMSAIMWMCGZDO-ZIADKAODSA-N
MW426.60 g/mol
LogP5.68
Rot. Bonds8

About 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine

1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine (PubChem CID 12888164) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
PubChem CID12888164
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C29H34N2O/c1-3-28(24-10-6-4-7-11-24)29(25-12-8-5-9-13-25)26-14-16-27(17-15-26)32-23-22-31-20-18-30(2)19-21-31/h4-17H,3,18-23H2,1-2H3/b29-28-
InChIKeyBNMSAIMWMCGZDO-ZIADKAODSA-N
XLogP5.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine (CID 12888164) is 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine is CC/C(=C(\c1ccccc1)c1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1.
What is the InChIKey of 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine?
The InChIKey is BNMSAIMWMCGZDO-ZIADKAODSA-N. The full InChI is InChI=1S/C29H34N2O/c1-3-28(24-10-6-4-7-11-24)29(25-12-8-5-9-13-25)26-14-16-27(17-15-26)32-23-22-31-20-18-30(2)19-21-31/h4-17H,3,18-23H2,1-2H3/b29-28-.
What are the key properties of 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine?
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine has a molecular weight of 426.60 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 12888164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).