1-hexa-1,3,5-trien-3-yl-3-methylpiperazine

C11H18N2 — CID 123835356

IUPAC1-hexa-1,3,5-trien-3-yl-3-methylpiperazine
SMILESC=CC=C(C=C)N1CCNC(C)C1
InChIInChI=1S/C11H18N2/c1-4-6-11(5-2)13-8-7-12-10(3)9-13/h4-6,10,12H,1-2,7-9H2,3H3
InChIKeyHNYDNVABWJGNPH-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.54
Rot. Bonds3

About 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine

1-hexa-1,3,5-trien-3-yl-3-methylpiperazine (PubChem CID 123835356) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine.

Molecular Properties

Compound Name1-hexa-1,3,5-trien-3-yl-3-methylpiperazine
PubChem CID123835356
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-hexa-1,3,5-trien-3-yl-3-methylpiperazine
SMILESC=CC=C(C=C)N1CCNC(C)C1
InChIInChI=1S/C11H18N2/c1-4-6-11(5-2)13-8-7-12-10(3)9-13/h4-6,10,12H,1-2,7-9H2,3H3
InChIKeyHNYDNVABWJGNPH-UHFFFAOYSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.54
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-[(3S)-3-methylpiperazin-1-yl]but-3-en-1-one
CID 104976240
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
N,N,3-trimethylpiperazine-1-carboxamide
CID 14090595
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
hydroxymethyl 3-methylpiperazine-1-carboxylate
CID 118679153
3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine
CID 89257050
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
CID 104975739
1-(3-methylpiperazin-1-yl)but-2-yn-1-one
CID 107990484

Frequently Asked Questions

What is the IUPAC name of 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine?
The IUPAC name of 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine (CID 123835356) is 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine.
What is the SMILES notation for 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine?
The canonical SMILES for 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine is C=CC=C(C=C)N1CCNC(C)C1.
What is the InChIKey of 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine?
The InChIKey is HNYDNVABWJGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-6-11(5-2)13-8-7-12-10(3)9-13/h4-6,10,12H,1-2,7-9H2,3H3.
What are the key properties of 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine?
1-hexa-1,3,5-trien-3-yl-3-methylpiperazine has a molecular weight of 178.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-1,3,5-trien-3-yl-3-methylpiperazine is sourced from PubChem (CID 123835356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).