3,6-bis(4-piperidin-1-ylbutoxy)acridine

C31H43N3O2 — CID 20553482

IUPAC3,6-bis(4-piperidin-1-ylbutoxy)acridine
SMILESc1cc2cc3ccc(OCCCCN4CCCCC4)cc3nc2cc1OCCCCN1CCCCC1
InChIInChI=1S/C31H43N3O2/c1-3-15-33(16-4-1)19-7-9-21-35-28-13-11-26-23-27-12-14-29(25-31(27)32-30(26)24-28)36-22-10-8-20-34-17-5-2-6-18-34/h11-14,23-25H,1-10,15-22H2
InChIKeyNHOZSZLAQMLFPS-UHFFFAOYSA-N
MW489.70 g/mol
LogP6.68
Rot. Bonds12

About 3,6-bis(4-piperidin-1-ylbutoxy)acridine

3,6-bis(4-piperidin-1-ylbutoxy)acridine (PubChem CID 20553482) has the molecular formula C31H43N3O2 and a molecular weight of 489.70 g/mol. Its IUPAC name is 3,6-bis(4-piperidin-1-ylbutoxy)acridine.

Molecular Properties

Compound Name3,6-bis(4-piperidin-1-ylbutoxy)acridine
PubChem CID20553482
Molecular FormulaC31H43N3O2
Molecular Weight489.70 g/mol
Exact Mass489.34
IUPAC Name3,6-bis(4-piperidin-1-ylbutoxy)acridine
SMILESc1cc2cc3ccc(OCCCCN4CCCCC4)cc3nc2cc1OCCCCN1CCCCC1
InChIInChI=1S/C31H43N3O2/c1-3-15-33(16-4-1)19-7-9-21-35-28-13-11-26-23-27-12-14-29(25-31(27)32-30(26)24-28)36-22-10-8-20-34-17-5-2-6-18-34/h11-14,23-25H,1-10,15-22H2
InChIKeyNHOZSZLAQMLFPS-UHFFFAOYSA-N
XLogP6.68
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
morpholin-4-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11516523
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-piperidin-1-ylbutoxy)acridine?
The IUPAC name of 3,6-bis(4-piperidin-1-ylbutoxy)acridine (CID 20553482) is 3,6-bis(4-piperidin-1-ylbutoxy)acridine.
What is the SMILES notation for 3,6-bis(4-piperidin-1-ylbutoxy)acridine?
The canonical SMILES for 3,6-bis(4-piperidin-1-ylbutoxy)acridine is c1cc2cc3ccc(OCCCCN4CCCCC4)cc3nc2cc1OCCCCN1CCCCC1.
What is the InChIKey of 3,6-bis(4-piperidin-1-ylbutoxy)acridine?
The InChIKey is NHOZSZLAQMLFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O2/c1-3-15-33(16-4-1)19-7-9-21-35-28-13-11-26-23-27-12-14-29(25-31(27)32-30(26)24-28)36-22-10-8-20-34-17-5-2-6-18-34/h11-14,23-25H,1-10,15-22H2.
What are the key properties of 3,6-bis(4-piperidin-1-ylbutoxy)acridine?
3,6-bis(4-piperidin-1-ylbutoxy)acridine has a molecular weight of 489.70 g/mol, XLogP of 6.68, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-piperidin-1-ylbutoxy)acridine is sourced from PubChem (CID 20553482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).