ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate

C16H23NO3 — CID 66835932

IUPACethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
SMILESCCOC(=O)C(OC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)15(13-7-5-4-6-8-13)20-14-9-11-17(2)12-10-14/h4-8,14-15H,3,9-12H2,1-2H3
InChIKeyZPJCWJCSDVWYEF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.40
Rot. Bonds5

About ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate

ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate (PubChem CID 66835932) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
PubChem CID66835932
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
SMILESCCOC(=O)C(OC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)15(13-7-5-4-6-8-13)20-14-9-11-17(2)12-10-14/h4-8,14-15H,3,9-12H2,1-2H3
InChIKeyZPJCWJCSDVWYEF-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane
CID 143176394
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl 4-(4-benzhydryloxypiperidin-1-yl)-3-oxobutanoate
CID 150642644
ethane;(1-methylpyrrolidin-3-yl) 3-methyl-2-phenylhexanoate
CID 143465368
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate?
The IUPAC name of ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate (CID 66835932) is ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate.
What is the SMILES notation for ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate?
The canonical SMILES for ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate is CCOC(=O)C(OC1CCN(C)CC1)c1ccccc1.
What is the InChIKey of ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate?
The InChIKey is ZPJCWJCSDVWYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-19-16(18)15(13-7-5-4-6-8-13)20-14-9-11-17(2)12-10-14/h4-8,14-15H,3,9-12H2,1-2H3.
What are the key properties of ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate?
ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate has a molecular weight of 277.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate is sourced from PubChem (CID 66835932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).