1-buta-2,3-dien-2-yl-4-methylpiperazine

C9H16N2 — CID 90908553

IUPAC1-buta-2,3-dien-2-yl-4-methylpiperazine
SMILESC=C=C(C)N1CCN(C)CC1
InChIInChI=1S/C9H16N2/c1-4-9(2)11-7-5-10(3)6-8-11/h1,5-8H2,2-3H3
InChIKeyMUBLPJZKWZMKRU-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.92
Rot. Bonds1

About 1-buta-2,3-dien-2-yl-4-methylpiperazine

1-buta-2,3-dien-2-yl-4-methylpiperazine (PubChem CID 90908553) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-buta-2,3-dien-2-yl-4-methylpiperazine.

Molecular Properties

Compound Name1-buta-2,3-dien-2-yl-4-methylpiperazine
PubChem CID90908553
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-buta-2,3-dien-2-yl-4-methylpiperazine
SMILESC=C=C(C)N1CCN(C)CC1
InChIInChI=1S/C9H16N2/c1-4-9(2)11-7-5-10(3)6-8-11/h1,5-8H2,2-3H3
InChIKeyMUBLPJZKWZMKRU-UHFFFAOYSA-N
XLogP0.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Fluorobut-2-en-2-yl)-4-methylpiperazine
CID 91515741
2-(4-Methylpiperazin-1-yl)prop-2-enenitrile
CID 21580037
1,4-Dimethyl-2,3-dimethylidenepiperazine
CID 12840741
1-Ethyl-4-prop-1-en-2-ylpiperazine
CID 20829762
1-Methyl-4-prop-1-en-2-ylpiperazine
CID 21366497
1,4-Dimethyl-2-methylidenepiperazine
CID 54488727
1-(2,2-Dimethylpropyl)-4-prop-1-en-2-ylpiperazine
CID 58171916
1-Propan-2-yl-4-prop-1-en-2-ylpiperazine
CID 58547477
1-Methyl-2-methylidene-4-propan-2-ylpiperazine
CID 58548422
1-Ethyl-4-methyl-2-methylidenepiperazine
CID 58871661
3-Ethenylidene-1-ethyl-4-methyl-2-methylidenepiperazine
CID 59013500
1-Ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium
CID 59044874

Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dien-2-yl-4-methylpiperazine?
The IUPAC name of 1-buta-2,3-dien-2-yl-4-methylpiperazine (CID 90908553) is 1-buta-2,3-dien-2-yl-4-methylpiperazine.
What is the SMILES notation for 1-buta-2,3-dien-2-yl-4-methylpiperazine?
The canonical SMILES for 1-buta-2,3-dien-2-yl-4-methylpiperazine is C=C=C(C)N1CCN(C)CC1.
What is the InChIKey of 1-buta-2,3-dien-2-yl-4-methylpiperazine?
The InChIKey is MUBLPJZKWZMKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-9(2)11-7-5-10(3)6-8-11/h1,5-8H2,2-3H3.
What are the key properties of 1-buta-2,3-dien-2-yl-4-methylpiperazine?
1-buta-2,3-dien-2-yl-4-methylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dien-2-yl-4-methylpiperazine is sourced from PubChem (CID 90908553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).