4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C19H23N3 — CID 10756148

IUPAC4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCN1CCN(c2ccc3c(n2)-c2ccccc2CCC3)CC1
InChIInChI=1S/C19H23N3/c1-21-11-13-22(14-12-21)18-10-9-16-7-4-6-15-5-2-3-8-17(15)19(16)20-18/h2-3,5,8-10H,4,6-7,11-14H2,1H3
InChIKeyYVROTQFTYDFCRH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.99
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 10756148) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID10756148
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCN1CCN(c2ccc3c(n2)-c2ccccc2CCC3)CC1
InChIInChI=1S/C19H23N3/c1-21-11-13-22(14-12-21)18-10-9-16-7-4-6-15-5-2-3-8-17(15)19(16)20-18/h2-3,5,8-10H,4,6-7,11-14H2,1H3
InChIKeyYVROTQFTYDFCRH-UHFFFAOYSA-N
XLogP2.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 10756148) is 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is CN1CCN(c2ccc3c(n2)-c2ccccc2CCC3)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is YVROTQFTYDFCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-21-11-13-22(14-12-21)18-10-9-16-7-4-6-15-5-2-3-8-17(15)19(16)20-18/h2-3,5,8-10H,4,6-7,11-14H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
4-(4-methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 293.41 g/mol, XLogP of 2.99, 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-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 10756148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).