1-(4-fluorophenyl)sulfanyl-4-methylpiperidine

C12H16FNS — CID 143539502

IUPAC1-(4-fluorophenyl)sulfanyl-4-methylpiperidine
SMILESCC1CCN(Sc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNS/c1-10-6-8-14(9-7-10)15-12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyXQUGHISJZHQQML-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.56
Rot. Bonds2

About 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine

1-(4-fluorophenyl)sulfanyl-4-methylpiperidine (PubChem CID 143539502) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-4-methylpiperidine
PubChem CID143539502
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name1-(4-fluorophenyl)sulfanyl-4-methylpiperidine
SMILESCC1CCN(Sc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNS/c1-10-6-8-14(9-7-10)15-12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyXQUGHISJZHQQML-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine (CID 143539502) is 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine is CC1CCN(Sc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine?
The InChIKey is XQUGHISJZHQQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-10-6-8-14(9-7-10)15-12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine?
1-(4-fluorophenyl)sulfanyl-4-methylpiperidine has a molecular weight of 225.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-4-methylpiperidine is sourced from PubChem (CID 143539502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).