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

C29H37N3O — CID 11004759

IUPACN-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
InChIKeyIBPWGZKZWJYGLA-UHFFFAOYSA-N
MW443.64 g/mol
LogP6.02
Rot. Bonds9

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

N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 11004759) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID11004759
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC NameN-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
InChIKeyIBPWGZKZWJYGLA-UHFFFAOYSA-N
XLogP6.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 56.02
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-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 11004759) is N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine is c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is IBPWGZKZWJYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31).
What are the key properties of N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 443.64 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 11004759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).