4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine

C21H26ClNO — CID 25263324

IUPAC4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine
SMILESCCC(Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1
InChIInChI=1S/C21H26ClNO/c1-3-20(17-6-4-7-18(22)14-17)24-21-9-5-8-19(15(21)2)16-10-12-23-13-11-16/h4-9,14,16,20,23H,3,10-13H2,1-2H3
InChIKeyHHRVQORAXYQVHM-UHFFFAOYSA-N
MW343.90 g/mol
LogP5.65
Rot. Bonds5

About 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine

4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine (PubChem CID 25263324) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine
PubChem CID25263324
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine
SMILESCCC(Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1
InChIInChI=1S/C21H26ClNO/c1-3-20(17-6-4-7-18(22)14-17)24-21-9-5-8-19(15(21)2)16-10-12-23-13-11-16/h4-9,14,16,20,23H,3,10-13H2,1-2H3
InChIKeyHHRVQORAXYQVHM-UHFFFAOYSA-N
XLogP5.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]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-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine?
The IUPAC name of 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine (CID 25263324) is 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine.
What is the SMILES notation for 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine?
The canonical SMILES for 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine is CCC(Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1.
What is the InChIKey of 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine?
The InChIKey is HHRVQORAXYQVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-3-20(17-6-4-7-18(22)14-17)24-21-9-5-8-19(15(21)2)16-10-12-23-13-11-16/h4-9,14,16,20,23H,3,10-13H2,1-2H3.
What are the key properties of 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine?
4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine has a molecular weight of 343.90 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl]piperidine is sourced from PubChem (CID 25263324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).