1-methyl-3-phenyl-4-phenylsulfanylpiperidine

C18H21NS — CID 12788478

IUPAC1-methyl-3-phenyl-4-phenylsulfanylpiperidine
SMILESCN1CCC(Sc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H21NS/c1-19-13-12-18(20-16-10-6-3-7-11-16)17(14-19)15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3
InChIKeyMYOAAKKFWXGORV-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.27
Rot. Bonds3

About 1-methyl-3-phenyl-4-phenylsulfanylpiperidine

1-methyl-3-phenyl-4-phenylsulfanylpiperidine (PubChem CID 12788478) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-methyl-3-phenyl-4-phenylsulfanylpiperidine.

Molecular Properties

Compound Name1-methyl-3-phenyl-4-phenylsulfanylpiperidine
PubChem CID12788478
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name1-methyl-3-phenyl-4-phenylsulfanylpiperidine
SMILESCN1CCC(Sc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H21NS/c1-19-13-12-18(20-16-10-6-3-7-11-16)17(14-19)15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3
InChIKeyMYOAAKKFWXGORV-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-4-phenylsulfanylpiperidine?
The IUPAC name of 1-methyl-3-phenyl-4-phenylsulfanylpiperidine (CID 12788478) is 1-methyl-3-phenyl-4-phenylsulfanylpiperidine.
What is the SMILES notation for 1-methyl-3-phenyl-4-phenylsulfanylpiperidine?
The canonical SMILES for 1-methyl-3-phenyl-4-phenylsulfanylpiperidine is CN1CCC(Sc2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 1-methyl-3-phenyl-4-phenylsulfanylpiperidine?
The InChIKey is MYOAAKKFWXGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-19-13-12-18(20-16-10-6-3-7-11-16)17(14-19)15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3.
What are the key properties of 1-methyl-3-phenyl-4-phenylsulfanylpiperidine?
1-methyl-3-phenyl-4-phenylsulfanylpiperidine has a molecular weight of 283.44 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-4-phenylsulfanylpiperidine is sourced from PubChem (CID 12788478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).