4-(2-bromoanilino)piperidine-4-carbonitrile

C12H14BrN3 — CID 61244841

IUPAC4-(2-bromoanilino)piperidine-4-carbonitrile
SMILESN#CC1(Nc2ccccc2Br)CCNCC1
InChIInChI=1S/C12H14BrN3/c13-10-3-1-2-4-11(10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-8H2
InChIKeyLXZMQGAWKNDWPS-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.51
Rot. Bonds2

About 4-(2-bromoanilino)piperidine-4-carbonitrile

4-(2-bromoanilino)piperidine-4-carbonitrile (PubChem CID 61244841) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 4-(2-bromoanilino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2-bromoanilino)piperidine-4-carbonitrile
PubChem CID61244841
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name4-(2-bromoanilino)piperidine-4-carbonitrile
SMILESN#CC1(Nc2ccccc2Br)CCNCC1
InChIInChI=1S/C12H14BrN3/c13-10-3-1-2-4-11(10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-8H2
InChIKeyLXZMQGAWKNDWPS-UHFFFAOYSA-N
XLogP2.51
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoanilino)piperidine-4-carbonitrile?
The IUPAC name of 4-(2-bromoanilino)piperidine-4-carbonitrile (CID 61244841) is 4-(2-bromoanilino)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(2-bromoanilino)piperidine-4-carbonitrile?
The canonical SMILES for 4-(2-bromoanilino)piperidine-4-carbonitrile is N#CC1(Nc2ccccc2Br)CCNCC1.
What is the InChIKey of 4-(2-bromoanilino)piperidine-4-carbonitrile?
The InChIKey is LXZMQGAWKNDWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-10-3-1-2-4-11(10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-8H2.
What are the key properties of 4-(2-bromoanilino)piperidine-4-carbonitrile?
4-(2-bromoanilino)piperidine-4-carbonitrile has a molecular weight of 280.17 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoanilino)piperidine-4-carbonitrile is sourced from PubChem (CID 61244841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).