methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate

C17H25NO2 — CID 10880349

IUPACmethyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CC1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(17(19)20-2)12-16-10-6-7-11-18(16)13-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKeyZWSHDRVPJDMEEG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.24
Rot. Bonds5

About methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate

methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate (PubChem CID 10880349) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate
PubChem CID10880349
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CC1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(17(19)20-2)12-16-10-6-7-11-18(16)13-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKeyZWSHDRVPJDMEEG-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
(R)-((R)-1-Methyl-piperidin-2-yl)-m-tolyl-acetic acid methyl ester
CID 44273085
(+/-)-threo-N-(2-Phenylethyl)methylphenidate
CID 52943716
(+/-)-threo-N-(6-Phenylhexyl)methylphenidate
CID 52945263
(+/-)-threo-N-(4-Phenylbutyl)methylphenidate
CID 52946144
(+/-)-threo-N-Allylmethylphenidate
CID 52947332
N-Benzylmethylphenidate
CID 52948224
(+/-)-threo-N-(3-Phenylpropyl)methylphenidate
CID 52948633
(+/-)-threo-N-Propargylmethylphenidate
CID 52948667
Ethyl 1-(4-biphenylylmethyl)-4-piperidinecarboxylate
CID 765234
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate (CID 10880349) is methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate is COC(=O)C(C)CC1CCCCN1Cc1ccccc1.
What is the InChIKey of methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate?
The InChIKey is ZWSHDRVPJDMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(17(19)20-2)12-16-10-6-7-11-18(16)13-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3.
What are the key properties of methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate?
methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate has a molecular weight of 275.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-benzylpiperidin-2-yl)-2-methylpropanoate is sourced from PubChem (CID 10880349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).