4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine

C14H20ClNO2 — CID 117427876

IUPAC4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2)c(Cl)c1OC
InChIInChI=1S/C14H20ClNO2/c1-17-12-4-3-11(13(15)14(12)18-2)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3
InChIKeyKRFGIYUCAMLSID-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.90
Rot. Bonds4

About 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine

4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine (PubChem CID 117427876) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
PubChem CID117427876
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2)c(Cl)c1OC
InChIInChI=1S/C14H20ClNO2/c1-17-12-4-3-11(13(15)14(12)18-2)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3
InChIKeyKRFGIYUCAMLSID-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]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-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117426953
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine (CID 117427876) is 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine is COc1ccc(CC2CCNCC2)c(Cl)c1OC.
What is the InChIKey of 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine?
The InChIKey is KRFGIYUCAMLSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-17-12-4-3-11(13(15)14(12)18-2)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3.
What are the key properties of 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine?
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine has a molecular weight of 269.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117427876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).