3-(4-bromophenyl)-4-thiophen-2-ylpiperidine

C15H16BrNS — CID 79434668

IUPAC3-(4-bromophenyl)-4-thiophen-2-ylpiperidine
SMILESBrc1ccc(C2CNCCC2c2cccs2)cc1
InChIInChI=1S/C15H16BrNS/c16-12-5-3-11(4-6-12)14-10-17-8-7-13(14)15-2-1-9-18-15/h1-6,9,13-14,17H,7-8,10H2
InChIKeyZQVZLLHDHCVCFO-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.37
Rot. Bonds2

About 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine

3-(4-bromophenyl)-4-thiophen-2-ylpiperidine (PubChem CID 79434668) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-thiophen-2-ylpiperidine
PubChem CID79434668
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name3-(4-bromophenyl)-4-thiophen-2-ylpiperidine
SMILESBrc1ccc(C2CNCCC2c2cccs2)cc1
InChIInChI=1S/C15H16BrNS/c16-12-5-3-11(4-6-12)14-10-17-8-7-13(14)15-2-1-9-18-15/h1-6,9,13-14,17H,7-8,10H2
InChIKeyZQVZLLHDHCVCFO-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-thiophen-2-ylpiperidin-3-ol
CID 69452815
4-(4-bromo-5-chlorothiophen-2-yl)-3-(4-bromophenyl)piperidine
CID 102845481
3-ethyl-4-thiophen-2-ylpiperidine
CID 79320840
(3-thiophen-2-ylpiperidin-4-yl)methanol
CID 117000504
4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine
CID 79432309
3-(4-bromophenyl)-4-cyclopentylpiperidine
CID 79434969
[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
CID 71228209
4-(4-bromophenyl)-3-propan-2-ylpiperidine
CID 79321311
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine
CID 13039290
(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 56605871
(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 14181100

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine?
The IUPAC name of 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine (CID 79434668) is 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine.
What is the SMILES notation for 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine?
The canonical SMILES for 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine is Brc1ccc(C2CNCCC2c2cccs2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine?
The InChIKey is ZQVZLLHDHCVCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c16-12-5-3-11(4-6-12)14-10-17-8-7-13(14)15-2-1-9-18-15/h1-6,9,13-14,17H,7-8,10H2.
What are the key properties of 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine?
3-(4-bromophenyl)-4-thiophen-2-ylpiperidine has a molecular weight of 322.27 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-thiophen-2-ylpiperidine is sourced from PubChem (CID 79434668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).