4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine

C19H23NOS — CID 11209210

IUPAC4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine
SMILESCOc1cccc(Sc2ccc(C)cc2C2CCNCC2)c1
InChIInChI=1S/C19H23NOS/c1-14-6-7-19(18(12-14)15-8-10-20-11-9-15)22-17-5-3-4-16(13-17)21-2/h3-7,12-13,15,20H,8-11H2,1-2H3
InChIKeyGDYZQHGVHRDKCZ-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.62
Rot. Bonds4

About 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine

4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine (PubChem CID 11209210) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine
PubChem CID11209210
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine
SMILESCOc1cccc(Sc2ccc(C)cc2C2CCNCC2)c1
InChIInChI=1S/C19H23NOS/c1-14-6-7-19(18(12-14)15-8-10-20-11-9-15)22-17-5-3-4-16(13-17)21-2/h3-7,12-13,15,20H,8-11H2,1-2H3
InChIKeyGDYZQHGVHRDKCZ-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine?
The IUPAC name of 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine (CID 11209210) is 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine?
The canonical SMILES for 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine is COc1cccc(Sc2ccc(C)cc2C2CCNCC2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine?
The InChIKey is GDYZQHGVHRDKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-14-6-7-19(18(12-14)15-8-10-20-11-9-15)22-17-5-3-4-16(13-17)21-2/h3-7,12-13,15,20H,8-11H2,1-2H3.
What are the key properties of 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine?
4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine has a molecular weight of 313.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine is sourced from PubChem (CID 11209210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).