4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine

C14H21NO2S — CID 117422234

IUPAC4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
SMILESCOc1ccc(C2CCNCC2)c(OC)c1SC
InChIInChI=1S/C14H21NO2S/c1-16-12-5-4-11(10-6-8-15-9-7-10)13(17-2)14(12)18-3/h4-5,10,15H,6-9H2,1-3H3
InChIKeyJMOFJOVDPFCMOE-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.89
Rot. Bonds4

About 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine

4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine (PubChem CID 117422234) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
PubChem CID117422234
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
SMILESCOc1ccc(C2CCNCC2)c(OC)c1SC
InChIInChI=1S/C14H21NO2S/c1-16-12-5-4-11(10-6-8-15-9-7-10)13(17-2)14(12)18-3/h4-5,10,15H,6-9H2,1-3H3
InChIKeyJMOFJOVDPFCMOE-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
4-(3-methoxy-2-methylsulfanylphenyl)piperidine
CID 117347828
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126
4-(4-chloro-2,3-dimethoxyphenyl)piperidine
CID 117392507
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117426953
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
4-(2-methoxyphenyl)piperidine
CID 544738
4-(3-fluoro-2-methylsulfanylphenyl)piperidine
CID 117324169
4-(3-methyl-2-methylsulfanylphenyl)piperidine
CID 154450435
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117377277

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine?
The IUPAC name of 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine (CID 117422234) is 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine.
What is the SMILES notation for 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine?
The canonical SMILES for 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine is COc1ccc(C2CCNCC2)c(OC)c1SC.
What is the InChIKey of 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine?
The InChIKey is JMOFJOVDPFCMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-12-5-4-11(10-6-8-15-9-7-10)13(17-2)14(12)18-3/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine?
4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine has a molecular weight of 267.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine is sourced from PubChem (CID 117422234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).