1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine

C11H22N2O — CID 167231552

IUPAC1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine
SMILESCO/C(C)=C/C(C)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-10(9-11(2)14-4)13-7-5-12(3)6-8-13/h9-10H,5-8H2,1-4H3/b11-9+
InChIKeyWMNYZOXPGZSWEU-PKNBQFBNSA-N
MW198.31 g/mol
LogP1.17
Rot. Bonds3

About 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine

1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine (PubChem CID 167231552) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine
PubChem CID167231552
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine
SMILESCO/C(C)=C/C(C)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-10(9-11(2)14-4)13-7-5-12(3)6-8-13/h9-10H,5-8H2,1-4H3/b11-9+
InChIKeyWMNYZOXPGZSWEU-PKNBQFBNSA-N
XLogP1.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine (CID 167231552) is 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine is CO/C(C)=C/C(C)N1CCN(C)CC1.
What is the InChIKey of 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine?
The InChIKey is WMNYZOXPGZSWEU-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(9-11(2)14-4)13-7-5-12(3)6-8-13/h9-10H,5-8H2,1-4H3/b11-9+.
What are the key properties of 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine?
1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine has a molecular weight of 198.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine is sourced from PubChem (CID 167231552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).