3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine

C11H16ClN3 — CID 83004107

IUPAC3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine
SMILESNc1cccc(Cl)c1NN1CCCCC1
InChIInChI=1S/C11H16ClN3/c12-9-5-4-6-10(13)11(9)14-15-7-2-1-3-8-15/h4-6,14H,1-3,7-8,13H2
InChIKeyHPQGLPYCLKJYFJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.73
Rot. Bonds2

About 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine

3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine (PubChem CID 83004107) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine
PubChem CID83004107
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine
SMILESNc1cccc(Cl)c1NN1CCCCC1
InChIInChI=1S/C11H16ClN3/c12-9-5-4-6-10(13)11(9)14-15-7-2-1-3-8-15/h4-6,14H,1-3,7-8,13H2
InChIKeyHPQGLPYCLKJYFJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine 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

N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
CID 62084795
N-(2-chlorophenyl)piperidin-1-amine
CID 66875878
3-chloro-2-piperidin-1-ylaniline;dihydrochloride
CID 53412034
3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270
1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol
CID 65103220
1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705
3-chloro-2-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63823896
3-(2-amino-6-chloroanilino)azepane-1-carboxylic acid
CID 170309032
N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine
CID 106891652
3-chloro-2-morpholin-4-ylaniline
CID 952393
3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
CID 79351279
4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine
CID 83003121

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine (CID 83004107) is 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine is Nc1cccc(Cl)c1NN1CCCCC1.
What is the InChIKey of 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine?
The InChIKey is HPQGLPYCLKJYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-9-5-4-6-10(13)11(9)14-15-7-2-1-3-8-15/h4-6,14H,1-3,7-8,13H2.
What are the key properties of 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine?
3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine has a molecular weight of 225.72 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine is sourced from PubChem (CID 83004107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).