3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine

C22H28FNO — CID 11717108

IUPAC3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccccc1C(C)C
InChIInChI=1S/C22H28FNO/c1-15(2)19-7-5-4-6-17(19)14-25-22-10-11-24-13-21(22)20-9-8-18(23)12-16(20)3/h4-9,12,15,21-22,24H,10-11,13-14H2,1-3H3
InChIKeyPHRFNDSEJJUPJI-UHFFFAOYSA-N
MW341.47 g/mol
LogP4.92
Rot. Bonds5

About 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine

3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine (PubChem CID 11717108) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine
PubChem CID11717108
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccccc1C(C)C
InChIInChI=1S/C22H28FNO/c1-15(2)19-7-5-4-6-17(19)14-25-22-10-11-24-13-21(22)20-9-8-18(23)12-16(20)3/h4-9,12,15,21-22,24H,10-11,13-14H2,1-3H3
InChIKeyPHRFNDSEJJUPJI-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]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 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine (CID 11717108) is 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1ccccc1C(C)C.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine?
The InChIKey is PHRFNDSEJJUPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c1-15(2)19-7-5-4-6-17(19)14-25-22-10-11-24-13-21(22)20-9-8-18(23)12-16(20)3/h4-9,12,15,21-22,24H,10-11,13-14H2,1-3H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine?
3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine has a molecular weight of 341.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxy]piperidine is sourced from PubChem (CID 11717108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).