3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine

C27H35Br2N3O2 — CID 70449102

IUPAC3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine
SMILESBrc1c(OCCN2CCCCC2)ccc2cc3c(nc12)CC(Br)(OCCN1CCCCC1)C=C3
InChIInChI=1S/C27H35Br2N3O2/c28-25-24(33-17-15-31-11-3-1-4-12-31)8-7-22-19-21-9-10-27(29,20-23(21)30-26(22)25)34-18-16-32-13-5-2-6-14-32/h7-10,19H,1-6,11-18,20H2
InChIKeyXPUOARWXCKKIBW-UHFFFAOYSA-N
MW593.40 g/mol
LogP6.03
Rot. Bonds8

About 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine

3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine (PubChem CID 70449102) has the molecular formula C27H35Br2N3O2 and a molecular weight of 593.40 g/mol. Its IUPAC name is 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine.

Molecular Properties

Compound Name3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine
PubChem CID70449102
Molecular FormulaC27H35Br2N3O2
Molecular Weight593.40 g/mol
Exact Mass591.11
IUPAC Name3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine
SMILESBrc1c(OCCN2CCCCC2)ccc2cc3c(nc12)CC(Br)(OCCN1CCCCC1)C=C3
InChIInChI=1S/C27H35Br2N3O2/c28-25-24(33-17-15-31-11-3-1-4-12-31)8-7-22-19-21-9-10-27(29,20-23(21)30-26(22)25)34-18-16-32-13-5-2-6-14-32/h7-10,19H,1-6,11-18,20H2
InChIKeyXPUOARWXCKKIBW-UHFFFAOYSA-N
XLogP6.03
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.40
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine with MolForge

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

Launch Full Analysis

Related Compounds

4,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)acridine
CID 20553499
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
CID 20553485
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63676415
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304
(1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 78938265
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 78937362
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine?
The IUPAC name of 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine (CID 70449102) is 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine.
What is the SMILES notation for 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine?
The canonical SMILES for 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine is Brc1c(OCCN2CCCCC2)ccc2cc3c(nc12)CC(Br)(OCCN1CCCCC1)C=C3.
What is the InChIKey of 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine?
The InChIKey is XPUOARWXCKKIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Br2N3O2/c28-25-24(33-17-15-31-11-3-1-4-12-31)8-7-22-19-21-9-10-27(29,20-23(21)30-26(22)25)34-18-16-32-13-5-2-6-14-32/h7-10,19H,1-6,11-18,20H2.
What are the key properties of 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine?
3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine has a molecular weight of 593.40 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine is sourced from PubChem (CID 70449102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).