4-phenyl-1-phenylsulfanylpiperidine

C17H19NS — CID 12645567

IUPAC4-phenyl-1-phenylsulfanylpiperidine
SMILESc1ccc(SN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19NS/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-10,16H,11-14H2
InChIKeyMVKVZSBMTGVAPH-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.57
Rot. Bonds3

About 4-phenyl-1-phenylsulfanylpiperidine

4-phenyl-1-phenylsulfanylpiperidine (PubChem CID 12645567) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-phenyl-1-phenylsulfanylpiperidine.

Molecular Properties

Compound Name4-phenyl-1-phenylsulfanylpiperidine
PubChem CID12645567
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name4-phenyl-1-phenylsulfanylpiperidine
SMILESc1ccc(SN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19NS/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-10,16H,11-14H2
InChIKeyMVKVZSBMTGVAPH-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.57
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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Related Compounds

Fenpiprane
CID 197785
Diphemanil
CID 6127
4-Benzhydrylpiperidine
CID 88278
Piperidine, 1-(3,3-diphenylallyl)-
CID 202718
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
Piperidine, 4-(diphenylmethylene)-1-methyl-
CID 95734
4-Phenyl-1-(5-phenyl-pentyl)-piperidine
CID 126229
1-(5,5-Diphenyl-pentyl)-4-methyl-piperidine
CID 10358719
4-Benzyl-1-(4-phenylbutyl)piperidine
CID 11722772
4-Benzyl-1-(3-phenylpropyl)piperidine
CID 23294399
1-(5,5-Diphenyl-pent-4-enyl)-4-methyl-piperidine
CID 44310585
1-[3-(4-Phenylphenyl)butyl]piperidine
CID 46893281

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-phenylsulfanylpiperidine?
The IUPAC name of 4-phenyl-1-phenylsulfanylpiperidine (CID 12645567) is 4-phenyl-1-phenylsulfanylpiperidine.
What is the SMILES notation for 4-phenyl-1-phenylsulfanylpiperidine?
The canonical SMILES for 4-phenyl-1-phenylsulfanylpiperidine is c1ccc(SN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-phenyl-1-phenylsulfanylpiperidine?
The InChIKey is MVKVZSBMTGVAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-10,16H,11-14H2.
What are the key properties of 4-phenyl-1-phenylsulfanylpiperidine?
4-phenyl-1-phenylsulfanylpiperidine has a molecular weight of 269.41 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-phenylsulfanylpiperidine is sourced from PubChem (CID 12645567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).