4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine

C13H21N3O2 — CID 83005355

IUPAC4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine
SMILESCOc1cc(N)c(NN2CCCCC2)cc1OC
InChIInChI=1S/C13H21N3O2/c1-17-12-8-10(14)11(9-13(12)18-2)15-16-6-4-3-5-7-16/h8-9,15H,3-7,14H2,1-2H3
InChIKeySKNWBMGYRHGCMY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.10
Rot. Bonds4

About 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine

4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine (PubChem CID 83005355) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine
PubChem CID83005355
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine
SMILESCOc1cc(N)c(NN2CCCCC2)cc1OC
InChIInChI=1S/C13H21N3O2/c1-17-12-8-10(14)11(9-13(12)18-2)15-16-6-4-3-5-7-16/h8-9,15H,3-7,14H2,1-2H3
InChIKeySKNWBMGYRHGCMY-UHFFFAOYSA-N
XLogP2.10
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine
CID 107259505
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine
CID 83007891
methyl 4-amino-3-(piperidin-1-ylamino)benzoate
CID 83023232
2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680
2,4,5-trimethoxy-N-piperidin-1-ylbenzamide
CID 9271097
2-(2-amino-4,5-dimethoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845823
ethyl 3-amino-4-(piperidin-1-ylamino)benzoate
CID 83023669
4,5-dimethoxy-2-N-(oxolan-2-yl)benzene-1,2-diamine
CID 13000218
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001604
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine (CID 83005355) is 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine is COc1cc(N)c(NN2CCCCC2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine?
The InChIKey is SKNWBMGYRHGCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-12-8-10(14)11(9-13(12)18-2)15-16-6-4-3-5-7-16/h8-9,15H,3-7,14H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine?
4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine has a molecular weight of 251.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine is sourced from PubChem (CID 83005355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).