4-(4-chloro-2,3-dimethoxyphenyl)piperidine

C13H18ClNO2 — CID 117392507

IUPAC4-(4-chloro-2,3-dimethoxyphenyl)piperidine
SMILESCOc1c(Cl)ccc(C2CCNCC2)c1OC
InChIInChI=1S/C13H18ClNO2/c1-16-12-10(9-5-7-15-8-6-9)3-4-11(14)13(12)17-2/h3-4,9,15H,5-8H2,1-2H3
InChIKeyWMBDHXHTVUDPFN-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.82
Rot. Bonds3

About 4-(4-chloro-2,3-dimethoxyphenyl)piperidine

4-(4-chloro-2,3-dimethoxyphenyl)piperidine (PubChem CID 117392507) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-(4-chloro-2,3-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-2,3-dimethoxyphenyl)piperidine
PubChem CID117392507
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-(4-chloro-2,3-dimethoxyphenyl)piperidine
SMILESCOc1c(Cl)ccc(C2CCNCC2)c1OC
InChIInChI=1S/C13H18ClNO2/c1-16-12-10(9-5-7-15-8-6-9)3-4-11(14)13(12)17-2/h3-4,9,15H,5-8H2,1-2H3
InChIKeyWMBDHXHTVUDPFN-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-5-piperidin-4-ylisoquinoline
CID 130378032
4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038
4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422234
2,3-dimethoxy-4-piperidin-4-ylpyridine
CID 84687723
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126
4-methoxy-1-methyl-5-piperidin-4-ylindole
CID 82622478
3-chloro-6-piperidin-4-ylbenzene-1,2-diol
CID 117327816
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
4-(5-chloro-3-ethyl-2-methoxyphenyl)piperidine
CID 117387972
3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,3-dimethoxyphenyl)piperidine?
The IUPAC name of 4-(4-chloro-2,3-dimethoxyphenyl)piperidine (CID 117392507) is 4-(4-chloro-2,3-dimethoxyphenyl)piperidine.
What is the SMILES notation for 4-(4-chloro-2,3-dimethoxyphenyl)piperidine?
The canonical SMILES for 4-(4-chloro-2,3-dimethoxyphenyl)piperidine is COc1c(Cl)ccc(C2CCNCC2)c1OC.
What is the InChIKey of 4-(4-chloro-2,3-dimethoxyphenyl)piperidine?
The InChIKey is WMBDHXHTVUDPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-12-10(9-5-7-15-8-6-9)3-4-11(14)13(12)17-2/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 4-(4-chloro-2,3-dimethoxyphenyl)piperidine?
4-(4-chloro-2,3-dimethoxyphenyl)piperidine has a molecular weight of 255.74 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,3-dimethoxyphenyl)piperidine is sourced from PubChem (CID 117392507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).