3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline

C15H24N2O2 — CID 16762514

IUPAC3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline
SMILESCOc1cc(N)ccc1OCCCN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-18-15-12-13(16)6-7-14(15)19-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3
InChIKeyXFKHKMYLKLDSFS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.53
Rot. Bonds6

About 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline

3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline (PubChem CID 16762514) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline
PubChem CID16762514
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline
SMILESCOc1cc(N)ccc1OCCCN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-18-15-12-13(16)6-7-14(15)19-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3
InChIKeyXFKHKMYLKLDSFS-UHFFFAOYSA-N
XLogP2.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline?
The IUPAC name of 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline (CID 16762514) is 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline.
What is the SMILES notation for 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline?
The canonical SMILES for 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline is COc1cc(N)ccc1OCCCN1CCCCC1.
What is the InChIKey of 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline?
The InChIKey is XFKHKMYLKLDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-15-12-13(16)6-7-14(15)19-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3.
What are the key properties of 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline?
3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline has a molecular weight of 264.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-piperidin-1-ylpropoxy)aniline is sourced from PubChem (CID 16762514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).