4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine

C19H22FNS — CID 12694029

IUPAC4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine
SMILESCN1CCC(SCc2ccccc2)(c2ccccc2F)CC1
InChIInChI=1S/C19H22FNS/c1-21-13-11-19(12-14-21,17-9-5-6-10-18(17)20)22-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyZXSAHYHUOZUEIV-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.68
Rot. Bonds4

About 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine

4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine (PubChem CID 12694029) has the molecular formula C19H22FNS and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine
PubChem CID12694029
Molecular FormulaC19H22FNS
Molecular Weight315.46 g/mol
Exact Mass315.15
IUPAC Name4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine
SMILESCN1CCC(SCc2ccccc2)(c2ccccc2F)CC1
InChIInChI=1S/C19H22FNS/c1-21-13-11-19(12-14-21,17-9-5-6-10-18(17)20)22-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyZXSAHYHUOZUEIV-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine?
The IUPAC name of 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine (CID 12694029) is 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine.
What is the SMILES notation for 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine?
The canonical SMILES for 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine is CN1CCC(SCc2ccccc2)(c2ccccc2F)CC1.
What is the InChIKey of 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine?
The InChIKey is ZXSAHYHUOZUEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNS/c1-21-13-11-19(12-14-21,17-9-5-6-10-18(17)20)22-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine?
4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine has a molecular weight of 315.46 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-4-(2-fluorophenyl)-1-methylpiperidine is sourced from PubChem (CID 12694029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).