3-(piperidin-4-ylmethoxy)aniline

C12H18N2O — CID 89233329

IUPAC3-(piperidin-4-ylmethoxy)aniline
SMILESNc1cccc(OCC2CCNCC2)c1
InChIInChI=1S/C12H18N2O/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10,14H,4-7,9,13H2
InChIKeyIUBAESVBFSKPRX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.65
Rot. Bonds3

About 3-(piperidin-4-ylmethoxy)aniline

3-(piperidin-4-ylmethoxy)aniline (PubChem CID 89233329) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethoxy)aniline.

Molecular Properties

Compound Name3-(piperidin-4-ylmethoxy)aniline
PubChem CID89233329
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(piperidin-4-ylmethoxy)aniline
SMILESNc1cccc(OCC2CCNCC2)c1
InChIInChI=1S/C12H18N2O/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10,14H,4-7,9,13H2
InChIKeyIUBAESVBFSKPRX-UHFFFAOYSA-N
XLogP1.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(piperidin-4-ylmethoxy)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-(piperidin-4-ylmethoxy)aniline?
The IUPAC name of 3-(piperidin-4-ylmethoxy)aniline (CID 89233329) is 3-(piperidin-4-ylmethoxy)aniline.
What is the SMILES notation for 3-(piperidin-4-ylmethoxy)aniline?
The canonical SMILES for 3-(piperidin-4-ylmethoxy)aniline is Nc1cccc(OCC2CCNCC2)c1.
What is the InChIKey of 3-(piperidin-4-ylmethoxy)aniline?
The InChIKey is IUBAESVBFSKPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10,14H,4-7,9,13H2.
What are the key properties of 3-(piperidin-4-ylmethoxy)aniline?
3-(piperidin-4-ylmethoxy)aniline has a molecular weight of 206.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethoxy)aniline is sourced from PubChem (CID 89233329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).