4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine

C24H32N4 — CID 70606935

IUPAC4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine
SMILESNC(=Cc1ccccc1)CCN1CCN(CCC(N)=Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4/c25-23(19-21-7-3-1-4-8-21)11-13-27-15-17-28(18-16-27)14-12-24(26)20-22-9-5-2-6-10-22/h1-10,19-20H,11-18,25-26H2
InChIKeyMMYLZZJTRYSYTM-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.38
Rot. Bonds8

About 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine

4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine (PubChem CID 70606935) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine.

Molecular Properties

Compound Name4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine
PubChem CID70606935
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine
SMILESNC(=Cc1ccccc1)CCN1CCN(CCC(N)=Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4/c25-23(19-21-7-3-1-4-8-21)11-13-27-15-17-28(18-16-27)14-12-24(26)20-22-9-5-2-6-10-22/h1-10,19-20H,11-18,25-26H2
InChIKeyMMYLZZJTRYSYTM-UHFFFAOYSA-N
XLogP3.38
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine?
The IUPAC name of 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine (CID 70606935) is 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine.
What is the SMILES notation for 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine?
The canonical SMILES for 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine is NC(=Cc1ccccc1)CCN1CCN(CCC(N)=Cc2ccccc2)CC1.
What is the InChIKey of 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine?
The InChIKey is MMYLZZJTRYSYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c25-23(19-21-7-3-1-4-8-21)11-13-27-15-17-28(18-16-27)14-12-24(26)20-22-9-5-2-6-10-22/h1-10,19-20H,11-18,25-26H2.
What are the key properties of 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine?
4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine has a molecular weight of 376.55 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-amino-4-phenylbut-3-enyl)piperazin-1-yl]-1-phenylbut-1-en-2-amine is sourced from PubChem (CID 70606935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).