4-(4-pyrrol-1-ylphenoxy)piperidine

C15H18N2O — CID 91522953

IUPAC4-(4-pyrrol-1-ylphenoxy)piperidine
SMILESc1ccn(-c2ccc(OC3CCNCC3)cc2)c1
InChIInChI=1S/C15H18N2O/c1-2-12-17(11-1)13-3-5-14(6-4-13)18-15-7-9-16-10-8-15/h1-6,11-12,15-16H,7-10H2
InChIKeyOSQVPSWGIZECFX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.61
Rot. Bonds3

About 4-(4-pyrrol-1-ylphenoxy)piperidine

4-(4-pyrrol-1-ylphenoxy)piperidine (PubChem CID 91522953) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-pyrrol-1-ylphenoxy)piperidine.

Molecular Properties

Compound Name4-(4-pyrrol-1-ylphenoxy)piperidine
PubChem CID91522953
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(4-pyrrol-1-ylphenoxy)piperidine
SMILESc1ccn(-c2ccc(OC3CCNCC3)cc2)c1
InChIInChI=1S/C15H18N2O/c1-2-12-17(11-1)13-3-5-14(6-4-13)18-15-7-9-16-10-8-15/h1-6,11-12,15-16H,7-10H2
InChIKeyOSQVPSWGIZECFX-UHFFFAOYSA-N
XLogP2.61
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-pyrrol-1-ylphenoxy)piperidine 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 4-(4-pyrrol-1-ylphenoxy)piperidine?
The IUPAC name of 4-(4-pyrrol-1-ylphenoxy)piperidine (CID 91522953) is 4-(4-pyrrol-1-ylphenoxy)piperidine.
What is the SMILES notation for 4-(4-pyrrol-1-ylphenoxy)piperidine?
The canonical SMILES for 4-(4-pyrrol-1-ylphenoxy)piperidine is c1ccn(-c2ccc(OC3CCNCC3)cc2)c1.
What is the InChIKey of 4-(4-pyrrol-1-ylphenoxy)piperidine?
The InChIKey is OSQVPSWGIZECFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-12-17(11-1)13-3-5-14(6-4-13)18-15-7-9-16-10-8-15/h1-6,11-12,15-16H,7-10H2.
What are the key properties of 4-(4-pyrrol-1-ylphenoxy)piperidine?
4-(4-pyrrol-1-ylphenoxy)piperidine has a molecular weight of 242.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrol-1-ylphenoxy)piperidine is sourced from PubChem (CID 91522953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).