1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine

C15H22N2 — CID 782507

IUPAC1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine
SMILESC/C=C(\C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c1-3-14(2)13-16-9-11-17(12-10-16)15-7-5-4-6-8-15/h3-8H,9-13H2,1-2H3/b14-3+
InChIKeyOTIKVFFRQRTXKP-LZWSPWQCSA-N
MW230.36 g/mol
LogP2.77
Rot. Bonds3

About 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine

1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine (PubChem CID 782507) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine
PubChem CID782507
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine
SMILESC/C=C(\C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c1-3-14(2)13-16-9-11-17(12-10-16)15-7-5-4-6-8-15/h3-8H,9-13H2,1-2H3/b14-3+
InChIKeyOTIKVFFRQRTXKP-LZWSPWQCSA-N
XLogP2.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine?
The IUPAC name of 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine (CID 782507) is 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine is C/C=C(\C)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine?
The InChIKey is OTIKVFFRQRTXKP-LZWSPWQCSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-14(2)13-16-9-11-17(12-10-16)15-7-5-4-6-8-15/h3-8H,9-13H2,1-2H3/b14-3+.
What are the key properties of 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine?
1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine has a molecular weight of 230.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazine is sourced from PubChem (CID 782507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).