ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate

C17H25NO2 — CID 11460054

IUPACethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-3-20-17(19)13-16-11-7-8-12-18(16)14(2)15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyZDYLPIHRXJASPA-GOEBONIOSA-N
MW275.39 g/mol
LogP3.56
Rot. Bonds5

About ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate

ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate (PubChem CID 11460054) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate
PubChem CID11460054
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-3-20-17(19)13-16-11-7-8-12-18(16)14(2)15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyZDYLPIHRXJASPA-GOEBONIOSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tilidine
CID 30131
2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
Tilidine Hydrochloride
CID 71393
Ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
CID 32329
Pentapiperide
CID 110942
Ethyl (1R,2S)-2-(dimethylamino)-1-phenyl-3-cyclohexene-1-carboxylate
CID 12546498
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate (CID 11460054) is ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate is CCOC(=O)C[C@H]1CCCCN1[C@@H](C)c1ccccc1.
What is the InChIKey of ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate?
The InChIKey is ZDYLPIHRXJASPA-GOEBONIOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-20-17(19)13-16-11-7-8-12-18(16)14(2)15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate?
ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate has a molecular weight of 275.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 11460054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).