4-benzyl-1-(2-phenylsulfanylethyl)piperidine

C20H25NS — CID 12045832

IUPAC4-benzyl-1-(2-phenylsulfanylethyl)piperidine
SMILESc1ccc(CC2CCN(CCSc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NS/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2
InChIKeyYMBNTGAWHCIVEX-UHFFFAOYSA-N
MW311.49 g/mol
LogP4.73
Rot. Bonds6

About 4-benzyl-1-(2-phenylsulfanylethyl)piperidine

4-benzyl-1-(2-phenylsulfanylethyl)piperidine (PubChem CID 12045832) has the molecular formula C20H25NS and a molecular weight of 311.49 g/mol. Its IUPAC name is 4-benzyl-1-(2-phenylsulfanylethyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(2-phenylsulfanylethyl)piperidine
PubChem CID12045832
Molecular FormulaC20H25NS
Molecular Weight311.49 g/mol
Exact Mass311.17
IUPAC Name4-benzyl-1-(2-phenylsulfanylethyl)piperidine
SMILESc1ccc(CC2CCN(CCSc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NS/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2
InChIKeyYMBNTGAWHCIVEX-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-phenylsulfanylethyl)piperidine?
The IUPAC name of 4-benzyl-1-(2-phenylsulfanylethyl)piperidine (CID 12045832) is 4-benzyl-1-(2-phenylsulfanylethyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(2-phenylsulfanylethyl)piperidine?
The canonical SMILES for 4-benzyl-1-(2-phenylsulfanylethyl)piperidine is c1ccc(CC2CCN(CCSc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(2-phenylsulfanylethyl)piperidine?
The InChIKey is YMBNTGAWHCIVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NS/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2.
What are the key properties of 4-benzyl-1-(2-phenylsulfanylethyl)piperidine?
4-benzyl-1-(2-phenylsulfanylethyl)piperidine has a molecular weight of 311.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-phenylsulfanylethyl)piperidine is sourced from PubChem (CID 12045832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).