1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine

C15H22N2 — CID 12730765

IUPAC1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine
SMILESCN1CCN(CC/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9H,6,10-14H2,1H3/b9-5+
InChIKeySXILFPQESHGEGQ-WEVVVXLNSA-N
MW230.36 g/mol
LogP2.34
Rot. Bonds4

About 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine

1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine (PubChem CID 12730765) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine
PubChem CID12730765
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine
SMILESCN1CCN(CC/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9H,6,10-14H2,1H3/b9-5+
InChIKeySXILFPQESHGEGQ-WEVVVXLNSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine?
The IUPAC name of 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine (CID 12730765) is 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine?
The canonical SMILES for 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine is CN1CCN(CC/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine?
The InChIKey is SXILFPQESHGEGQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H22N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9H,6,10-14H2,1H3/b9-5+.
What are the key properties of 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine?
1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine has a molecular weight of 230.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-4-phenylbut-3-enyl]piperazine is sourced from PubChem (CID 12730765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).