2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline

C17H24Br2N2 — CID 79540376

IUPAC2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
SMILESBrc1ccc(Br)c(NC2CCCCC2C2CCCCN2)c1
InChIInChI=1S/C17H24Br2N2/c18-12-8-9-14(19)17(11-12)21-16-7-2-1-5-13(16)15-6-3-4-10-20-15/h8-9,11,13,15-16,20-21H,1-7,10H2
InChIKeyVJCUQASZBGCPGK-UHFFFAOYSA-N
MW416.20 g/mol
LogP5.32
Rot. Bonds3

About 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline

2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline (PubChem CID 79540376) has the molecular formula C17H24Br2N2 and a molecular weight of 416.20 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
PubChem CID79540376
Molecular FormulaC17H24Br2N2
Molecular Weight416.20 g/mol
Exact Mass414.03
IUPAC Name2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
SMILESBrc1ccc(Br)c(NC2CCCCC2C2CCCCN2)c1
InChIInChI=1S/C17H24Br2N2/c18-12-8-9-14(19)17(11-12)21-16-7-2-1-5-13(16)15-6-3-4-10-20-15/h8-9,11,13,15-16,20-21H,1-7,10H2
InChIKeyVJCUQASZBGCPGK-UHFFFAOYSA-N
XLogP5.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.20
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
5-bromo-2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzonitrile
CID 82692143
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064
4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107787547
2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537662
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline
CID 63427336

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline?
The IUPAC name of 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline (CID 79540376) is 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline is Brc1ccc(Br)c(NC2CCCCC2C2CCCCN2)c1.
What is the InChIKey of 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline?
The InChIKey is VJCUQASZBGCPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Br2N2/c18-12-8-9-14(19)17(11-12)21-16-7-2-1-5-13(16)15-6-3-4-10-20-15/h8-9,11,13,15-16,20-21H,1-7,10H2.
What are the key properties of 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline?
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline has a molecular weight of 416.20 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79540376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).