4-(4-chloro-2-methoxy-5-methylphenyl)piperidine

C13H18ClNO — CID 83392391

IUPAC4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
SMILESCOc1cc(Cl)c(C)cc1C1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-9-7-11(10-3-5-15-6-4-10)13(16-2)8-12(9)14/h7-8,10,15H,3-6H2,1-2H3
InChIKeyBAURXFALMRGFLZ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.12
Rot. Bonds2

About 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine

4-(4-chloro-2-methoxy-5-methylphenyl)piperidine (PubChem CID 83392391) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
PubChem CID83392391
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
SMILESCOc1cc(Cl)c(C)cc1C1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-9-7-11(10-3-5-15-6-4-10)13(16-2)8-12(9)14/h7-8,10,15H,3-6H2,1-2H3
InChIKeyBAURXFALMRGFLZ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chloro-2-methoxy-5-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

Related Compounds

4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
CID 117402861
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
CID 117456299
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
2,5-dimethoxy-4-piperidin-4-ylpyridine
CID 84687688
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95720866

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine (CID 83392391) is 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine is COc1cc(Cl)c(C)cc1C1CCNCC1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine?
The InChIKey is BAURXFALMRGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-7-11(10-3-5-15-6-4-10)13(16-2)8-12(9)14/h7-8,10,15H,3-6H2,1-2H3.
What are the key properties of 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine?
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine has a molecular weight of 239.75 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylphenyl)piperidine is sourced from PubChem (CID 83392391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).