1-but-2-en-2-yl-4-methylpiperazine

C9H18N2 — CID 123753002

IUPAC1-but-2-en-2-yl-4-methylpiperazine
SMILESCC=C(C)N1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-4-9(2)11-7-5-10(3)6-8-11/h4H,5-8H2,1-3H3
InChIKeyNYYFNUXHXMDMNO-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.16
Rot. Bonds1

About 1-but-2-en-2-yl-4-methylpiperazine

1-but-2-en-2-yl-4-methylpiperazine (PubChem CID 123753002) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-but-2-en-2-yl-4-methylpiperazine.

Molecular Properties

Compound Name1-but-2-en-2-yl-4-methylpiperazine
PubChem CID123753002
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-but-2-en-2-yl-4-methylpiperazine
SMILESCC=C(C)N1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-4-9(2)11-7-5-10(3)6-8-11/h4H,5-8H2,1-3H3
InChIKeyNYYFNUXHXMDMNO-UHFFFAOYSA-N
XLogP1.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-4-methylpiperazine?
The IUPAC name of 1-but-2-en-2-yl-4-methylpiperazine (CID 123753002) is 1-but-2-en-2-yl-4-methylpiperazine.
What is the SMILES notation for 1-but-2-en-2-yl-4-methylpiperazine?
The canonical SMILES for 1-but-2-en-2-yl-4-methylpiperazine is CC=C(C)N1CCN(C)CC1.
What is the InChIKey of 1-but-2-en-2-yl-4-methylpiperazine?
The InChIKey is NYYFNUXHXMDMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-9(2)11-7-5-10(3)6-8-11/h4H,5-8H2,1-3H3.
What are the key properties of 1-but-2-en-2-yl-4-methylpiperazine?
1-but-2-en-2-yl-4-methylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-4-methylpiperazine is sourced from PubChem (CID 123753002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).