3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine

C13H20ClN3 — CID 104834770

IUPAC3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine
SMILESCC1CC(Nc2cccc(Cl)c2N)CCN1C
InChIInChI=1S/C13H20ClN3/c1-9-8-10(6-7-17(9)2)16-12-5-3-4-11(14)13(12)15/h3-5,9-10,16H,6-8,15H2,1-2H3
InChIKeyZIEGMCPGWKSXJG-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.82
Rot. Bonds2

About 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine

3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine (PubChem CID 104834770) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine
PubChem CID104834770
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine
SMILESCC1CC(Nc2cccc(Cl)c2N)CCN1C
InChIInChI=1S/C13H20ClN3/c1-9-8-10(6-7-17(9)2)16-12-5-3-4-11(14)13(12)15/h3-5,9-10,16H,6-8,15H2,1-2H3
InChIKeyZIEGMCPGWKSXJG-UHFFFAOYSA-N
XLogP2.82
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 104833978
6-N-(1,2-dimethylpiperidin-4-yl)isoquinoline-5,6-diamine
CID 106948296
5-chloro-1-N-(1,2-dimethylpiperidin-4-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553346
3-chloro-1-N-(2,4-dimethylcyclohexyl)benzene-1,2-diamine
CID 113458644
4-chloro-2-[(1,2-dimethylpiperidin-4-yl)amino]benzonitrile
CID 79033920
(2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine
CID 129381116
3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide
CID 83000233
3-chloro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 104834789
3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine
CID 102759271
3-chloro-1-N-(oxan-3-yl)benzene-1,2-diamine
CID 104834544
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
(1,2-dimethylpiperidin-4-yl)hydrazine
CID 55281806

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine (CID 104834770) is 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine is CC1CC(Nc2cccc(Cl)c2N)CCN1C.
What is the InChIKey of 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine?
The InChIKey is ZIEGMCPGWKSXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-8-10(6-7-17(9)2)16-12-5-3-4-11(14)13(12)15/h3-5,9-10,16H,6-8,15H2,1-2H3.
What are the key properties of 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine?
3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine has a molecular weight of 253.78 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 104834770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).