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

C16H23NO2 — CID 11608614

IUPACmethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CCCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(14-8-4-3-5-9-14)17-11-7-6-10-15(17)12-16(18)19-2/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyQYRIDPZDHRVYKZ-DZGCQCFKSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds4

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

methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate (PubChem CID 11608614) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate
PubChem CID11608614
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CCCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(14-8-4-3-5-9-14)17-11-7-6-10-15(17)12-16(18)19-2/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyQYRIDPZDHRVYKZ-DZGCQCFKSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
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
methyl (3S,4S)-4-(4-ethenylphenyl)-1-methylpiperidine-3-carboxylate
CID 10377864
methyl (3S,4S)-1-methyl-4-(4-prop-2-enylphenyl)piperidine-3-carboxylate
CID 10802241
Ethyl (1R,2S)-2-(dimethylamino)-1-phenyl-3-cyclohexene-1-carboxylate
CID 12546498
Methyl 3-amino-3-phenylpropionate
CID 2755328
(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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate (CID 11608614) is methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate is COC(=O)C[C@H]1CCCCN1[C@@H](C)c1ccccc1.
What is the InChIKey of methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate?
The InChIKey is QYRIDPZDHRVYKZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(14-8-4-3-5-9-14)17-11-7-6-10-15(17)12-16(18)19-2/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate?
methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate has a molecular weight of 261.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 11608614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).