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

C13H24N2 — CID 145309756

IUPAC4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine
SMILESC=C/C(=C\C)C1CN(C)CCN1C(C)C
InChIInChI=1S/C13H24N2/c1-6-12(7-2)13-10-14(5)8-9-15(13)11(3)4/h6-7,11,13H,1,8-10H2,2-5H3/b12-7+
InChIKeyLLMJPYSGYSWKOF-KPKJPENVSA-N
MW208.35 g/mol
LogP2.14
Rot. Bonds3

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

4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine (PubChem CID 145309756) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine
PubChem CID145309756
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine
SMILESC=C/C(=C\C)C1CN(C)CCN1C(C)C
InChIInChI=1S/C13H24N2/c1-6-12(7-2)13-10-14(5)8-9-15(13)11(3)4/h6-7,11,13H,1,8-10H2,2-5H3/b12-7+
InChIKeyLLMJPYSGYSWKOF-KPKJPENVSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1,2-di(propan-2-yl)piperazine
CID 58964341
1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 142926355
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine
CID 168838550
1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156531720
1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one
CID 79659387
1-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156511039
N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)prop-2-enamide
CID 155732764
methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate
CID 135240223
1-[3-(2,2-difluoroethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 135165412
N-[(3S)-1-methylpiperidin-3-yl]prop-2-enamide
CID 118137431
N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
CID 110086467

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine?
The IUPAC name of 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine (CID 145309756) is 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine.
What is the SMILES notation for 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine?
The canonical SMILES for 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine is C=C/C(=C\C)C1CN(C)CCN1C(C)C.
What is the InChIKey of 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine?
The InChIKey is LLMJPYSGYSWKOF-KPKJPENVSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-12(7-2)13-10-14(5)8-9-15(13)11(3)4/h6-7,11,13H,1,8-10H2,2-5H3/b12-7+.
What are the key properties of 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine?
4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine is sourced from PubChem (CID 145309756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).