2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline

C16H22Br2N2 — CID 107597064

IUPAC2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESBrc1cccc(Br)c1NC1CCCC1C1CCCCN1
InChIInChI=1S/C16H22Br2N2/c17-12-6-4-7-13(18)16(12)20-15-9-3-5-11(15)14-8-1-2-10-19-14/h4,6-7,11,14-15,19-20H,1-3,5,8-10H2
InChIKeyHNUULHDOYFVDAI-UHFFFAOYSA-N
MW402.17 g/mol
LogP4.93
Rot. Bonds3

About 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline

2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline (PubChem CID 107597064) has the molecular formula C16H22Br2N2 and a molecular weight of 402.17 g/mol. Its IUPAC name is 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
PubChem CID107597064
Molecular FormulaC16H22Br2N2
Molecular Weight402.17 g/mol
Exact Mass400.01
IUPAC Name2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESBrc1cccc(Br)c1NC1CCCC1C1CCCCN1
InChIInChI=1S/C16H22Br2N2/c17-12-6-4-7-13(18)16(12)20-15-9-3-5-11(15)14-8-1-2-10-19-14/h4,6-7,11,14-15,19-20H,1-3,5,8-10H2
InChIKeyHNUULHDOYFVDAI-UHFFFAOYSA-N
XLogP4.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.17
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543746
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79540376
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
2,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545127
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
CID 79545201
[2-[(2-piperidin-2-ylcyclopentyl)amino]phenyl]methanol
CID 79545669
4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107787547
3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline?
The IUPAC name of 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline (CID 107597064) is 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline is Brc1cccc(Br)c1NC1CCCC1C1CCCCN1.
What is the InChIKey of 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline?
The InChIKey is HNUULHDOYFVDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2/c17-12-6-4-7-13(18)16(12)20-15-9-3-5-11(15)14-8-1-2-10-19-14/h4,6-7,11,14-15,19-20H,1-3,5,8-10H2.
What are the key properties of 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline?
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline has a molecular weight of 402.17 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 107597064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).