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

C10H11BrN2S — CID 23149826

IUPAC4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccc(Br)s2)CCNCC1
InChIInChI=1S/C10H11BrN2S/c11-9-2-1-8(14-9)10(7-12)3-5-13-6-4-10/h1-2,13H,3-6H2
InChIKeyWQVHNNQUASNJMU-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.66
Rot. Bonds1

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

4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile (PubChem CID 23149826) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile
PubChem CID23149826
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccc(Br)s2)CCNCC1
InChIInChI=1S/C10H11BrN2S/c11-9-2-1-8(14-9)10(7-12)3-5-13-6-4-10/h1-2,13H,3-6H2
InChIKeyWQVHNNQUASNJMU-UHFFFAOYSA-N
XLogP2.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 52.66
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?
The IUPAC name of 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile (CID 23149826) is 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile is N#CC1(c2ccc(Br)s2)CCNCC1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile?
The InChIKey is WQVHNNQUASNJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c11-9-2-1-8(14-9)10(7-12)3-5-13-6-4-10/h1-2,13H,3-6H2.
What are the key properties of 4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile?
4-(5-bromothiophen-2-yl)piperidine-4-carbonitrile has a molecular weight of 271.18 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 23149826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).