N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine

C31H41N3O — CID 11048988

IUPACN-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C31H41N3O/c1-8-21-34(22-9-1)23-10-24-35-26-18-16-25(17-19-26)11-6-7-20-32-31-27-12-2-4-14-29(27)33-30-15-5-3-13-28(30)31/h2,4,12,14,16-19H,1,3,5-11,13,15,20-24H2,(H,32,33)
InChIKeyBLTJGVWWJCNJJL-UHFFFAOYSA-N
MW471.69 g/mol
LogP6.80
Rot. Bonds11

About N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 11048988) has the molecular formula C31H41N3O and a molecular weight of 471.69 g/mol. Its IUPAC name is N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID11048988
Molecular FormulaC31H41N3O
Molecular Weight471.69 g/mol
Exact Mass471.32
IUPAC NameN-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C31H41N3O/c1-8-21-34(22-9-1)23-10-24-35-26-18-16-25(17-19-26)11-6-7-20-32-31-27-12-2-4-14-29(27)33-30-15-5-3-13-28(30)31/h2,4,12,14,16-19H,1,3,5-11,13,15,20-24H2,(H,32,33)
InChIKeyBLTJGVWWJCNJJL-UHFFFAOYSA-N
XLogP6.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 11048988) is N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine is c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is BLTJGVWWJCNJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O/c1-8-21-34(22-9-1)23-10-24-35-26-18-16-25(17-19-26)11-6-7-20-32-31-27-12-2-4-14-29(27)33-30-15-5-3-13-28(30)31/h2,4,12,14,16-19H,1,3,5-11,13,15,20-24H2,(H,32,33).
What are the key properties of N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 471.69 g/mol, XLogP of 6.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 11048988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).