4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine

C16H25NOS — CID 117448534

IUPAC4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine
SMILESCCc1cc(OC)c(CC2CCNCC2)cc1SC
InChIInChI=1S/C16H25NOS/c1-4-13-10-15(18-2)14(11-16(13)19-3)9-12-5-7-17-8-6-12/h10-12,17H,4-9H2,1-3H3
InChIKeyFHKPSIAPSDYZPU-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.52
Rot. Bonds5

About 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine

4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine (PubChem CID 117448534) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine
PubChem CID117448534
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine
SMILESCCc1cc(OC)c(CC2CCNCC2)cc1SC
InChIInChI=1S/C16H25NOS/c1-4-13-10-15(18-2)14(11-16(13)19-3)9-12-5-7-17-8-6-12/h10-12,17H,4-9H2,1-3H3
InChIKeyFHKPSIAPSDYZPU-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[[2,4-bis(methylsulfanyl)phenyl]methyl]piperidine
CID 117422419
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine
CID 117418158
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine (CID 117448534) is 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine is CCc1cc(OC)c(CC2CCNCC2)cc1SC.
What is the InChIKey of 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine?
The InChIKey is FHKPSIAPSDYZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-13-10-15(18-2)14(11-16(13)19-3)9-12-5-7-17-8-6-12/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine?
4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine has a molecular weight of 279.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 117448534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).