4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine

C13H20BrNS — CID 79321477

IUPAC4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CNCCC1c1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-9(2)7-10-8-15-6-5-11(10)12-3-4-13(14)16-12/h3-4,9-11,15H,5-8H2,1-2H3
InChIKeyDSKBJWRBRCJLNK-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.25
Rot. Bonds3

About 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine

4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine (PubChem CID 79321477) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine
PubChem CID79321477
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CNCCC1c1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-9(2)7-10-8-15-6-5-11(10)12-3-4-13(14)16-12/h3-4,9-11,15H,5-8H2,1-2H3
InChIKeyDSKBJWRBRCJLNK-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine (CID 79321477) is 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine is CC(C)CC1CNCCC1c1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine?
The InChIKey is DSKBJWRBRCJLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-9(2)7-10-8-15-6-5-11(10)12-3-4-13(14)16-12/h3-4,9-11,15H,5-8H2,1-2H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine?
4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine has a molecular weight of 302.28 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 79321477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).