2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one

C19H19ClN2OSe — CID 72736553

IUPAC2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one
SMILESO=c1c2ccc(Cl)cc2[se]n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H19ClN2OSe/c20-15-6-7-17-18(12-15)24-22(19(17)23)16-8-10-21(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2
InChIKeyHYQXXJPDFKHWQZ-UHFFFAOYSA-N
MW405.79 g/mol
LogP3.55
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one

2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one (PubChem CID 72736553) has the molecular formula C19H19ClN2OSe and a molecular weight of 405.79 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one
PubChem CID72736553
Molecular FormulaC19H19ClN2OSe
Molecular Weight405.79 g/mol
Exact Mass406.04
IUPAC Name2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one
SMILESO=c1c2ccc(Cl)cc2[se]n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H19ClN2OSe/c20-15-6-7-17-18(12-15)24-22(19(17)23)16-8-10-21(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2
InChIKeyHYQXXJPDFKHWQZ-UHFFFAOYSA-N
XLogP3.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.79
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
CID 10687182
6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one
CID 67845427
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
1-benzyl-4-(3-chlorophenyl)piperidin-3-one
CID 141447100
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one (CID 72736553) is 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one is O=c1c2ccc(Cl)cc2[se]n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one?
The InChIKey is HYQXXJPDFKHWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OSe/c20-15-6-7-17-18(12-15)24-22(19(17)23)16-8-10-21(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one?
2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one has a molecular weight of 405.79 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one is sourced from PubChem (CID 72736553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).