1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine

C10H18N2 — CID 145028999

IUPAC1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
SMILESC=C/C=C(\C)C1CN(C)CCN1
InChIInChI=1S/C10H18N2/c1-4-5-9(2)10-8-12(3)7-6-11-10/h4-5,10-11H,1,6-8H2,2-3H3/b9-5+
InChIKeyFLVHURNDSDLWKN-WEVVVXLNSA-N
MW166.27 g/mol
LogP1.02
Rot. Bonds2

About 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine

1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine (PubChem CID 145028999) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
PubChem CID145028999
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
SMILESC=C/C=C(\C)C1CN(C)CCN1
InChIInChI=1S/C10H18N2/c1-4-5-9(2)10-8-12(3)7-6-11-10/h4-5,10-11H,1,6-8H2,2-3H3/b9-5+
InChIKeyFLVHURNDSDLWKN-WEVVVXLNSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-prop-2-enylpiperazine
CID 23395683
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine
CID 143348607
3-(4-methylpiperazin-2-yl)butan-2-one
CID 82412326
(3R)-1,3-dimethylpiperazine;ethane
CID 143846249
1,3-dimethylpiperazine;ethane
CID 167500512
(4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone
CID 116919783
1-hexa-1,3,5-trien-3-yl-3-methylpiperazine
CID 123835356
(3R)-1,3-dimethylpiperazine;molecular hydrogen
CID 145424168
1,3-bis(ethenyl)piperazine
CID 121376458
N-cyclohexyl-N,4-dimethylpiperazine-2-carboxamide
CID 115177979
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine?
The IUPAC name of 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine (CID 145028999) is 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine.
What is the SMILES notation for 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine?
The canonical SMILES for 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine is C=C/C=C(\C)C1CN(C)CCN1.
What is the InChIKey of 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine?
The InChIKey is FLVHURNDSDLWKN-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-9(2)10-8-12(3)7-6-11-10/h4-5,10-11H,1,6-8H2,2-3H3/b9-5+.
What are the key properties of 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine?
1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine has a molecular weight of 166.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine is sourced from PubChem (CID 145028999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).