1-(4-chlorophenyl)sulfanyl-4-methylpiperidine

C12H16ClNS — CID 142218555

IUPAC1-(4-chlorophenyl)sulfanyl-4-methylpiperidine
SMILESCC1CCN(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClNS/c1-10-6-8-14(9-7-10)15-12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyOKWIANRXKDFTNL-UHFFFAOYSA-N
MW241.79 g/mol
LogP4.08
Rot. Bonds2

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

1-(4-chlorophenyl)sulfanyl-4-methylpiperidine (PubChem CID 142218555) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-4-methylpiperidine
PubChem CID142218555
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name1-(4-chlorophenyl)sulfanyl-4-methylpiperidine
SMILESCC1CCN(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClNS/c1-10-6-8-14(9-7-10)15-12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyOKWIANRXKDFTNL-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 54.08
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-chlorophenyl)sulfanyl-4-methylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-4-methylpiperidine (CID 142218555) is 1-(4-chlorophenyl)sulfanyl-4-methylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-4-methylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-4-methylpiperidine is CC1CCN(Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-4-methylpiperidine?
The InChIKey is OKWIANRXKDFTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/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-chlorophenyl)sulfanyl-4-methylpiperidine?
1-(4-chlorophenyl)sulfanyl-4-methylpiperidine has a molecular weight of 241.79 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-4-methylpiperidine is sourced from PubChem (CID 142218555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).