5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene

C12H19N3 — CID 143240494

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCN1CCN(CC2=CC=NC3CC23)CC1
InChIInChI=1S/C12H19N3/c1-14-4-6-15(7-5-14)9-10-2-3-13-12-8-11(10)12/h2-3,11-12H,4-9H2,1H3
InChIKeyUCVSSLXCYYHDIJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.63
Rot. Bonds2

About 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene

5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143240494) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143240494
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCN1CCN(CC2=CC=NC3CC23)CC1
InChIInChI=1S/C12H19N3/c1-14-4-6-15(7-5-14)9-10-2-3-13-12-8-11(10)12/h2-3,11-12H,4-9H2,1H3
InChIKeyUCVSSLXCYYHDIJ-UHFFFAOYSA-N
XLogP0.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,3-Dihydropyridin-4-yl)ethyl]-1-methyl-1-propan-2-ylpiperazin-1-ium
CID 91807105
5-Methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene
CID 143483015
5-(1-Ethylpiperidin-4-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene
CID 144477602
1-Methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine
CID 145198151

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene (CID 143240494) is 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene is CN1CCN(CC2=CC=NC3CC23)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is UCVSSLXCYYHDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14-4-6-15(7-5-14)9-10-2-3-13-12-8-11(10)12/h2-3,11-12H,4-9H2,1H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene?
5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 205.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143240494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).