3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine

C16H25NS — CID 11836238

IUPAC3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine
SMILESCC1CC(C)CN(CCCSc2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-14-11-15(2)13-17(12-14)9-6-10-18-16-7-4-3-5-8-16/h3-5,7-8,14-15H,6,9-13H2,1-2H3
InChIKeyNAHGSCRAUMNHIA-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.15
Rot. Bonds5

About 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine

3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine (PubChem CID 11836238) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine
PubChem CID11836238
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine
SMILESCC1CC(C)CN(CCCSc2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-14-11-15(2)13-17(12-14)9-6-10-18-16-7-4-3-5-8-16/h3-5,7-8,14-15H,6,9-13H2,1-2H3
InChIKeyNAHGSCRAUMNHIA-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine?
The IUPAC name of 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine (CID 11836238) is 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine.
What is the SMILES notation for 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine?
The canonical SMILES for 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine is CC1CC(C)CN(CCCSc2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine?
The InChIKey is NAHGSCRAUMNHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-14-11-15(2)13-17(12-14)9-6-10-18-16-7-4-3-5-8-16/h3-5,7-8,14-15H,6,9-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine?
3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine has a molecular weight of 263.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-phenylsulfanylpropyl)piperidine is sourced from PubChem (CID 11836238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).