4-(4-bromophenoxy)-1-phenylsulfanylpiperidine

C17H18BrNOS — CID 12645570

IUPAC4-(4-bromophenoxy)-1-phenylsulfanylpiperidine
SMILESBrc1ccc(OC2CCN(Sc3ccccc3)CC2)cc1
InChIInChI=1S/C17H18BrNOS/c18-14-6-8-15(9-7-14)20-16-10-12-19(13-11-16)21-17-4-2-1-3-5-17/h1-9,16H,10-13H2
InChIKeyMGRCCRXXMABTFD-UHFFFAOYSA-N
MW364.31 g/mol
LogP5.00
Rot. Bonds4

About 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine

4-(4-bromophenoxy)-1-phenylsulfanylpiperidine (PubChem CID 12645570) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-1-phenylsulfanylpiperidine
PubChem CID12645570
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name4-(4-bromophenoxy)-1-phenylsulfanylpiperidine
SMILESBrc1ccc(OC2CCN(Sc3ccccc3)CC2)cc1
InChIInChI=1S/C17H18BrNOS/c18-14-6-8-15(9-7-14)20-16-10-12-19(13-11-16)21-17-4-2-1-3-5-17/h1-9,16H,10-13H2
InChIKeyMGRCCRXXMABTFD-UHFFFAOYSA-N
XLogP5.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
1-[2-(4-Bromophenoxy)ethyl]piperidine
CID 867195
4-{[4-(4-Bromophenoxy)phenyl]sulfonyl}morpholine
CID 1257549
N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18133517
4-(4-Bromophenoxy)piperidine
CID 12645566
1-[3-(3-Bromophenoxy)propyl]piperidine oxalate
CID 2297566
4-(4-Bromophenoxy)piperidine-1-carbonitrile
CID 118524805
1-[3-(4-Bromophenoxy)propyl]-4,4-difluoropiperidine
CID 67249619
1-[1,3-Bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine
CID 67261099
1-{3-[(4-Bromo-3-fluorophenyl)oxy]propyl}piperidine
CID 68697853
1-(3-(4-Bromo-2-fluorophenoxy)propyl)piperidine
CID 68698964
4-(4-Bromo-2-fluorophenoxy)-1-methylpiperidine
CID 166094238

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine?
The IUPAC name of 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine (CID 12645570) is 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine.
What is the SMILES notation for 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine?
The canonical SMILES for 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine is Brc1ccc(OC2CCN(Sc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine?
The InChIKey is MGRCCRXXMABTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c18-14-6-8-15(9-7-14)20-16-10-12-19(13-11-16)21-17-4-2-1-3-5-17/h1-9,16H,10-13H2.
What are the key properties of 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine?
4-(4-bromophenoxy)-1-phenylsulfanylpiperidine has a molecular weight of 364.31 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-1-phenylsulfanylpiperidine is sourced from PubChem (CID 12645570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).