10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine

C21H32N4 — CID 123347256

IUPAC10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine
SMILES[H]/N=C1\c2ccccc2N(CCCN2CCN(C)CC2)C2CCCCC12
InChIInChI=1S/C21H32N4/c1-23-13-15-24(16-14-23)11-6-12-25-19-9-4-2-7-17(19)21(22)18-8-3-5-10-20(18)25/h2,4,7,9,18,20,22H,3,5-6,8,10-16H2,1H3/b22-21+
InChIKeyCHCNOERVZHUWOY-QURGRASLSA-N
MW340.52 g/mol
LogP3.07
Rot. Bonds4

About 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine

10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine (PubChem CID 123347256) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine.

Molecular Properties

Compound Name10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine
PubChem CID123347256
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine
SMILES[H]/N=C1\c2ccccc2N(CCCN2CCN(C)CC2)C2CCCCC12
InChIInChI=1S/C21H32N4/c1-23-13-15-24(16-14-23)11-6-12-25-19-9-4-2-7-17(19)21(22)18-8-3-5-10-20(18)25/h2,4,7,9,18,20,22H,3,5-6,8,10-16H2,1H3/b22-21+
InChIKeyCHCNOERVZHUWOY-QURGRASLSA-N
XLogP3.07
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine?
The IUPAC name of 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine (CID 123347256) is 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine.
What is the SMILES notation for 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine?
The canonical SMILES for 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine is [H]/N=C1\c2ccccc2N(CCCN2CCN(C)CC2)C2CCCCC12.
What is the InChIKey of 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine?
The InChIKey is CHCNOERVZHUWOY-QURGRASLSA-N. The full InChI is InChI=1S/C21H32N4/c1-23-13-15-24(16-14-23)11-6-12-25-19-9-4-2-7-17(19)21(22)18-8-3-5-10-20(18)25/h2,4,7,9,18,20,22H,3,5-6,8,10-16H2,1H3/b22-21+.
What are the key properties of 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine?
10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine has a molecular weight of 340.52 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-methylpiperazin-1-yl)propyl]-1,2,3,4,4a,9a-hexahydroacridin-9-imine is sourced from PubChem (CID 123347256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).