methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate

C17H25NO3 — CID 155390510

IUPACmethyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate
SMILESCOC(=O)C(C)(C)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-17(2,16(19)20-3)21-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyWJPREUSLSYWCJD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds5

About methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate

methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate (PubChem CID 155390510) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate
PubChem CID155390510
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate
SMILESCOC(=O)C(C)(C)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-17(2,16(19)20-3)21-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyWJPREUSLSYWCJD-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
tert-butyl (1-benzylpiperidin-4-yl)arsanylformate
CID 173186373
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate
CID 91916458
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate?
The IUPAC name of methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate (CID 155390510) is methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate?
The canonical SMILES for methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate is COC(=O)C(C)(C)OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate?
The InChIKey is WJPREUSLSYWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,16(19)20-3)21-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate?
methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate is sourced from PubChem (CID 155390510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).