1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine

C13H24N2 — CID 146250146

IUPAC1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine
SMILESC=CC(=C)N1CC(C)N(C(C)C)CC1C
InChIInChI=1S/C13H24N2/c1-7-11(4)15-9-12(5)14(10(2)3)8-13(15)6/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3
InChIKeyKQEBDKGOBUNYBL-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.49
Rot. Bonds3

About 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine

1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine (PubChem CID 146250146) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine
PubChem CID146250146
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine
SMILESC=CC(=C)N1CC(C)N(C(C)C)CC1C
InChIInChI=1S/C13H24N2/c1-7-11(4)15-9-12(5)14(10(2)3)8-13(15)6/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3
InChIKeyKQEBDKGOBUNYBL-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine (CID 146250146) is 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine is C=CC(=C)N1CC(C)N(C(C)C)CC1C.
What is the InChIKey of 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine?
The InChIKey is KQEBDKGOBUNYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-11(4)15-9-12(5)14(10(2)3)8-13(15)6/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3.
What are the key properties of 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine?
1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 146250146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).