4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine

C15H18N2O2 — CID 59757640

IUPAC4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
SMILESc1cc(COCCCOCc2ccncc2)ccn1
InChIInChI=1S/C15H18N2O2/c1(10-18-12-14-2-6-16-7-3-14)11-19-13-15-4-8-17-9-5-15/h2-9H,1,10-13H2
InChIKeyFQYXTTPONMIFIO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.60
Rot. Bonds8

About 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine

4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine (PubChem CID 59757640) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine.

Molecular Properties

Compound Name4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
PubChem CID59757640
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
SMILESc1cc(COCCCOCc2ccncc2)ccn1
InChIInChI=1S/C15H18N2O2/c1(10-18-12-14-2-6-16-7-3-14)11-19-13-15-4-8-17-9-5-15/h2-9H,1,10-13H2
InChIKeyFQYXTTPONMIFIO-UHFFFAOYSA-N
XLogP2.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine 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-(dodecoxymethyl)pyridine
CID 175554630
2-(pyridin-4-ylmethoxy)ethyl methanesulfonate
CID 89158313
2-(pyridin-4-ylmethoxy)ethylcarbamic acid
CID 69184657
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
3-bromo-5-(3-pyridin-4-ylpropoxymethyl)aniline
CID 103350319
2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
CID 143482158
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
trimethyl(pyridin-4-ylmethoxy)silane
CID 45117506
4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71637005
2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine
CID 79243952
N-methyl-N-[2-(pyridin-4-ylmethoxy)ethyl]but-3-yn-2-amine
CID 175220435

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine?
The IUPAC name of 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine (CID 59757640) is 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine.
What is the SMILES notation for 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine?
The canonical SMILES for 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine is c1cc(COCCCOCc2ccncc2)ccn1.
What is the InChIKey of 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine?
The InChIKey is FQYXTTPONMIFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1(10-18-12-14-2-6-16-7-3-14)11-19-13-15-4-8-17-9-5-15/h2-9H,1,10-13H2.
What are the key properties of 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine?
4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine has a molecular weight of 258.32 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine is sourced from PubChem (CID 59757640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).