6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol

C14H21NOS — CID 117382256

IUPAC6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol
SMILESCSc1ccc(C)c(O)c1CC1CCCCN1
InChIInChI=1S/C14H21NOS/c1-10-6-7-13(17-2)12(14(10)16)9-11-5-3-4-8-15-11/h6-7,11,15-16H,3-5,8-9H2,1-2H3
InChIKeyOFRIVHJNBRQAKL-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.11
Rot. Bonds3

About 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol

6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol (PubChem CID 117382256) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol
PubChem CID117382256
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol
SMILESCSc1ccc(C)c(O)c1CC1CCCCN1
InChIInChI=1S/C14H21NOS/c1-10-6-7-13(17-2)12(14(10)16)9-11-5-3-4-8-15-11/h6-7,11,15-16H,3-5,8-9H2,1-2H3
InChIKeyOFRIVHJNBRQAKL-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
2-(piperidin-2-ylmethyl)-3,6-di(propan-2-yl)phenol
CID 117441122
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2-[(4,5-dimethyl-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 117343802
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(2-fluoro-4-methyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117351620
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol (CID 117382256) is 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol is CSc1ccc(C)c(O)c1CC1CCCCN1.
What is the InChIKey of 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol?
The InChIKey is OFRIVHJNBRQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-6-7-13(17-2)12(14(10)16)9-11-5-3-4-8-15-11/h6-7,11,15-16H,3-5,8-9H2,1-2H3.
What are the key properties of 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol?
6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol has a molecular weight of 251.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117382256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).