N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine

C15H22N4Se — CID 43715846

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCCN1CCC(C(C)Nc2cccc3n[se]nc23)CC1
InChIInChI=1S/C15H22N4Se/c1-3-19-9-7-12(8-10-19)11(2)16-13-5-4-6-14-15(13)18-20-17-14/h4-6,11-12,16H,3,7-10H2,1-2H3
InChIKeyLJFOYDIVIOENNA-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43715846) has the molecular formula C15H22N4Se and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
PubChem CID43715846
Molecular FormulaC15H22N4Se
Molecular Weight337.33 g/mol
Exact Mass338.10
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCCN1CCC(C(C)Nc2cccc3n[se]nc23)CC1
InChIInChI=1S/C15H22N4Se/c1-3-19-9-7-12(8-10-19)11(2)16-13-5-4-6-14-15(13)18-20-17-14/h4-6,11-12,16H,3,7-10H2,1-2H3
InChIKeyLJFOYDIVIOENNA-UHFFFAOYSA-N
XLogP2.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine 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-(1-cyclopropylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 64919702
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726410
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
CID 65469902
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715970
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
4-[1-(2,1,3-benzoselenadiazol-4-ylamino)ethyl]phenol
CID 43715966
N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
CID 79768481

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine (CID 43715846) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine is CCN1CCC(C(C)Nc2cccc3n[se]nc23)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is LJFOYDIVIOENNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4Se/c1-3-19-9-7-12(8-10-19)11(2)16-13-5-4-6-14-15(13)18-20-17-14/h4-6,11-12,16H,3,7-10H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 337.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43715846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).