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

C10H18N2 — CID 139337863

IUPAC4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine
SMILESC=CC(=C)N1CCN(C)C(C)C1
InChIInChI=1S/C10H18N2/c1-5-9(2)12-7-6-11(4)10(3)8-12/h5,10H,1-2,6-8H2,3-4H3
InChIKeyDJSATJOIVVBCKA-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.32
Rot. Bonds2

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

4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine (PubChem CID 139337863) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine
PubChem CID139337863
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine
SMILESC=CC(=C)N1CCN(C)C(C)C1
InChIInChI=1S/C10H18N2/c1-5-9(2)12-7-6-11(4)10(3)8-12/h5,10H,1-2,6-8H2,3-4H3
InChIKeyDJSATJOIVVBCKA-UHFFFAOYSA-N
XLogP1.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.32
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

1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
1-buta-1,3-dien-2-yl-3-methylpiperidine
CID 145201276
4-buta-1,3-dien-2-yl-1,2-dimethyl-1,4-diazepane-5-thiol
CID 168983767
1,2-dimethyl-4-pent-1-en-2-ylpiperazine
CID 129029243
4-hex-1-en-2-yl-1,2-dimethylpiperazine
CID 129028845
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-yn-1-one
CID 167089469
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
1-[3-(difluoromethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 147998852
2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63633328
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
(3R)-1-buta-1,3-dien-2-yl-3-propan-2-ylazepane
CID 164736264
1-[3-(difluoromethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one;ethane
CID 156733263

Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine?
The IUPAC name of 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine (CID 139337863) is 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine.
What is the SMILES notation for 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine?
The canonical SMILES for 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine is C=CC(=C)N1CCN(C)C(C)C1.
What is the InChIKey of 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine?
The InChIKey is DJSATJOIVVBCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9(2)12-7-6-11(4)10(3)8-12/h5,10H,1-2,6-8H2,3-4H3.
What are the key properties of 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine?
4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine is sourced from PubChem (CID 139337863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).