N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride

C33H45Cl2N3O2 — CID 24881949

IUPACN-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(CCCNc3c4c(nc5ccccc35)CCCC4)CC1)C2.Cl.Cl
InChIInChI=1S/C33H43N3O2.2ClH/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33;;/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35);2*1H
InChIKeyYOWGZBFRTIIBGN-UHFFFAOYSA-N
MW586.65 g/mol
LogP7.29
Rot. Bonds9

About N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride

N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride (PubChem CID 24881949) has the molecular formula C33H45Cl2N3O2 and a molecular weight of 586.65 g/mol. Its IUPAC name is N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride.

Molecular Properties

Compound NameN-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride
PubChem CID24881949
Molecular FormulaC33H45Cl2N3O2
Molecular Weight586.65 g/mol
Exact Mass585.29
IUPAC NameN-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(CCCNc3c4c(nc5ccccc35)CCCC4)CC1)C2.Cl.Cl
InChIInChI=1S/C33H43N3O2.2ClH/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33;;/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35);2*1H
InChIKeyYOWGZBFRTIIBGN-UHFFFAOYSA-N
XLogP7.29
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.65
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride?
The IUPAC name of N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride (CID 24881949) is N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride.
What is the SMILES notation for N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride?
The canonical SMILES for N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride is COc1cc2c(cc1OC)CC(CC1CCN(CCCNc3c4c(nc5ccccc35)CCCC4)CC1)C2.Cl.Cl.
What is the InChIKey of N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride?
The InChIKey is YOWGZBFRTIIBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O2.2ClH/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33;;/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35);2*1H.
What are the key properties of N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride?
N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride has a molecular weight of 586.65 g/mol, XLogP of 7.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride is sourced from PubChem (CID 24881949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).