2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline

C25H25N3O — CID 102447994

IUPAC2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3c(OCCN4CCCCC4)cc4cccnc4c3n2)cc1
InChIInChI=1S/C25H25N3O/c1-3-8-19(9-4-1)22-12-11-21-23(29-17-16-28-14-5-2-6-15-28)18-20-10-7-13-26-24(20)25(21)27-22/h1,3-4,7-13,18H,2,5-6,14-17H2
InChIKeyNTYZWSLNAJNRMG-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.31
Rot. Bonds5

About 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline

2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline (PubChem CID 102447994) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline
PubChem CID102447994
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3c(OCCN4CCCCC4)cc4cccnc4c3n2)cc1
InChIInChI=1S/C25H25N3O/c1-3-8-19(9-4-1)22-12-11-21-23(29-17-16-28-14-5-2-6-15-28)18-20-10-7-13-26-24(20)25(21)27-22/h1,3-4,7-13,18H,2,5-6,14-17H2
InChIKeyNTYZWSLNAJNRMG-UHFFFAOYSA-N
XLogP5.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
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3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
CID 157127954
7-phenylbenzo[f][4,7]phenanthroline
CID 169052915
2-(1,10-phenanthrolin-5-yloxy)ethanamine
CID 59008923
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
4,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)acridine
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8-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline
CID 24849053

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline?
The IUPAC name of 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline (CID 102447994) is 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline is c1ccc(-c2ccc3c(OCCN4CCCCC4)cc4cccnc4c3n2)cc1.
What is the InChIKey of 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline?
The InChIKey is NTYZWSLNAJNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-3-8-19(9-4-1)22-12-11-21-23(29-17-16-28-14-5-2-6-15-28)18-20-10-7-13-26-24(20)25(21)27-22/h1,3-4,7-13,18H,2,5-6,14-17H2.
What are the key properties of 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline?
2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline has a molecular weight of 383.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline is sourced from PubChem (CID 102447994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).