4-(2-phenylsulfanylphenyl)piperidine

C17H19NS — CID 11311727

IUPAC4-(2-phenylsulfanylphenyl)piperidine
SMILESc1ccc(Sc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C17H19NS/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)14-10-12-18-13-11-14/h1-9,14,18H,10-13H2
InChIKeyOITWUTJGZGVOKQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.30
Rot. Bonds3

About 4-(2-phenylsulfanylphenyl)piperidine

4-(2-phenylsulfanylphenyl)piperidine (PubChem CID 11311727) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-(2-phenylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-phenylsulfanylphenyl)piperidine
PubChem CID11311727
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name4-(2-phenylsulfanylphenyl)piperidine
SMILESc1ccc(Sc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C17H19NS/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)14-10-12-18-13-11-14/h1-9,14,18H,10-13H2
InChIKeyOITWUTJGZGVOKQ-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylsulfanylphenyl)piperidine?
The IUPAC name of 4-(2-phenylsulfanylphenyl)piperidine (CID 11311727) is 4-(2-phenylsulfanylphenyl)piperidine.
What is the SMILES notation for 4-(2-phenylsulfanylphenyl)piperidine?
The canonical SMILES for 4-(2-phenylsulfanylphenyl)piperidine is c1ccc(Sc2ccccc2C2CCNCC2)cc1.
What is the InChIKey of 4-(2-phenylsulfanylphenyl)piperidine?
The InChIKey is OITWUTJGZGVOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)14-10-12-18-13-11-14/h1-9,14,18H,10-13H2.
What are the key properties of 4-(2-phenylsulfanylphenyl)piperidine?
4-(2-phenylsulfanylphenyl)piperidine has a molecular weight of 269.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylsulfanylphenyl)piperidine is sourced from PubChem (CID 11311727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).