4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene

C11H17N3 — CID 142884381

IUPAC4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCN1CCN(C2=CC3CC3C=N2)CC1
InChIInChI=1S/C11H17N3/c1-13-2-4-14(5-3-13)11-7-9-6-10(9)8-12-11/h7-10H,2-6H2,1H3
InChIKeyWDDMGZNDKBIQLF-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.80
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene

4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 142884381) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID142884381
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCN1CCN(C2=CC3CC3C=N2)CC1
InChIInChI=1S/C11H17N3/c1-13-2-4-14(5-3-13)11-7-9-6-10(9)8-12-11/h7-10H,2-6H2,1H3
InChIKeyWDDMGZNDKBIQLF-UHFFFAOYSA-N
XLogP0.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclopropyl-1-methyl-2-methylidene-6-(4-methylpiperazin-1-yl)pyrimidine
CID 123688662
1-Methyl-4-(4-methyl-3,4-dihydropyridin-6-yl)piperazine
CID 143181551
Ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449398
3-Methyl-6-piperidin-1-yl-3,4-dihydropyridine
CID 146281395
4-Piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449399
7-[(3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl]-4-methyl-4,5-dihydro-3H-azepine
CID 156866524

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 142884381) is 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene is CN1CCN(C2=CC3CC3C=N2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is WDDMGZNDKBIQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13-2-4-14(5-3-13)11-7-9-6-10(9)8-12-11/h7-10H,2-6H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene?
4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 191.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 142884381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).