4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide

C10H12Br2N2S — CID 23149825

IUPAC4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide
SMILESBr.N#CC1(c2ccc(Br)s2)CCNCC1
InChIInChI=1S/C10H11BrN2S.BrH/c11-9-2-1-8(14-9)10(7-12)3-5-13-6-4-10;/h1-2,13H,3-6H2;1H
InChIKeyJNJNCURRHFNIGR-UHFFFAOYSA-N
MW352.10 g/mol
LogP3.23
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide

4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide (PubChem CID 23149825) has the molecular formula C10H12Br2N2S and a molecular weight of 352.10 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide
PubChem CID23149825
Molecular FormulaC10H12Br2N2S
Molecular Weight352.10 g/mol
Exact Mass349.91
IUPAC Name4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide
SMILESBr.N#CC1(c2ccc(Br)s2)CCNCC1
InChIInChI=1S/C10H11BrN2S.BrH/c11-9-2-1-8(14-9)10(7-12)3-5-13-6-4-10;/h1-2,13H,3-6H2;1H
InChIKeyJNJNCURRHFNIGR-UHFFFAOYSA-N
XLogP3.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide?
The IUPAC name of 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide (CID 23149825) is 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide is Br.N#CC1(c2ccc(Br)s2)CCNCC1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide?
The InChIKey is JNJNCURRHFNIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S.BrH/c11-9-2-1-8(14-9)10(7-12)3-5-13-6-4-10;/h1-2,13H,3-6H2;1H.
What are the key properties of 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide?
4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide has a molecular weight of 352.10 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile;hydrobromide is sourced from PubChem (CID 23149825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).