4-(3-methoxy-2-methylsulfanylphenyl)piperidine

C13H19NOS — CID 117347828

IUPAC4-(3-methoxy-2-methylsulfanylphenyl)piperidine
SMILESCOc1cccc(C2CCNCC2)c1SC
InChIInChI=1S/C13H19NOS/c1-15-12-5-3-4-11(13(12)16-2)10-6-8-14-9-7-10/h3-5,10,14H,6-9H2,1-2H3
InChIKeyDOSYJDUACJPMFU-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.88
Rot. Bonds3

About 4-(3-methoxy-2-methylsulfanylphenyl)piperidine

4-(3-methoxy-2-methylsulfanylphenyl)piperidine (PubChem CID 117347828) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-(3-methoxy-2-methylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-methoxy-2-methylsulfanylphenyl)piperidine
PubChem CID117347828
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-(3-methoxy-2-methylsulfanylphenyl)piperidine
SMILESCOc1cccc(C2CCNCC2)c1SC
InChIInChI=1S/C13H19NOS/c1-15-12-5-3-4-11(13(12)16-2)10-6-8-14-9-7-10/h3-5,10,14H,6-9H2,1-2H3
InChIKeyDOSYJDUACJPMFU-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422234
4-(2-methoxyphenyl)piperidine
CID 544738
4-(3-methyl-2-methylsulfanylphenyl)piperidine
CID 154450435
4-(3-fluoro-2-methylsulfanylphenyl)piperidine
CID 117324169
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine
CID 11415864
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117418008
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-methylsulfanylphenyl)piperidine?
The IUPAC name of 4-(3-methoxy-2-methylsulfanylphenyl)piperidine (CID 117347828) is 4-(3-methoxy-2-methylsulfanylphenyl)piperidine.
What is the SMILES notation for 4-(3-methoxy-2-methylsulfanylphenyl)piperidine?
The canonical SMILES for 4-(3-methoxy-2-methylsulfanylphenyl)piperidine is COc1cccc(C2CCNCC2)c1SC.
What is the InChIKey of 4-(3-methoxy-2-methylsulfanylphenyl)piperidine?
The InChIKey is DOSYJDUACJPMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-12-5-3-4-11(13(12)16-2)10-6-8-14-9-7-10/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of 4-(3-methoxy-2-methylsulfanylphenyl)piperidine?
4-(3-methoxy-2-methylsulfanylphenyl)piperidine has a molecular weight of 237.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-methylsulfanylphenyl)piperidine is sourced from PubChem (CID 117347828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).