tert-butyl (1-benzylpiperidin-4-yl)arsanylformate

C17H26AsNO2 — CID 173186373

IUPACtert-butyl (1-benzylpiperidin-4-yl)arsanylformate
SMILESCC(C)(C)OC(=O)[AsH]C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26AsNO2/c1-17(2,3)21-16(20)18-15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKeyFEZJYGICVJTDGK-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.44
Rot. Bonds4

About tert-butyl (1-benzylpiperidin-4-yl)arsanylformate

tert-butyl (1-benzylpiperidin-4-yl)arsanylformate (PubChem CID 173186373) has the molecular formula C17H26AsNO2 and a molecular weight of 351.32 g/mol. Its IUPAC name is tert-butyl (1-benzylpiperidin-4-yl)arsanylformate.

Molecular Properties

Compound Nametert-butyl (1-benzylpiperidin-4-yl)arsanylformate
PubChem CID173186373
Molecular FormulaC17H26AsNO2
Molecular Weight351.32 g/mol
Exact Mass351.12
IUPAC Nametert-butyl (1-benzylpiperidin-4-yl)arsanylformate
SMILESCC(C)(C)OC(=O)[AsH]C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26AsNO2/c1-17(2,3)21-16(20)18-15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKeyFEZJYGICVJTDGK-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.44
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

tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
tert-butyl 1-benzyl-1,4-azaphosphepane-5-carboxylate
CID 130251446
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
tert-butyl (3R)-1-(1-benzylpiperidin-4-yl)pyrrolidine-3-carboxylate
CID 97136656
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate
CID 155390510
tert-butyl (2S)-2-[(1-benzylpiperidin-4-yl)amino]-3-phenylpropanoate
CID 14997630
tert-butyl 4-benzyl-7-(2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 163245986
tert-butyl 2-[(1-benzylpiperidin-4-yl)oxymethyl]-3-methylbutanoate
CID 175401006
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1-benzylpiperidin-4-yl)arsanylformate?
The IUPAC name of tert-butyl (1-benzylpiperidin-4-yl)arsanylformate (CID 173186373) is tert-butyl (1-benzylpiperidin-4-yl)arsanylformate.
What is the SMILES notation for tert-butyl (1-benzylpiperidin-4-yl)arsanylformate?
The canonical SMILES for tert-butyl (1-benzylpiperidin-4-yl)arsanylformate is CC(C)(C)OC(=O)[AsH]C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl (1-benzylpiperidin-4-yl)arsanylformate?
The InChIKey is FEZJYGICVJTDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26AsNO2/c1-17(2,3)21-16(20)18-15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3.
What are the key properties of tert-butyl (1-benzylpiperidin-4-yl)arsanylformate?
tert-butyl (1-benzylpiperidin-4-yl)arsanylformate has a molecular weight of 351.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1-benzylpiperidin-4-yl)arsanylformate is sourced from PubChem (CID 173186373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).