methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate

C17H23NO2 — CID 52947332

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate
SMILESC=CCN1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C17H23NO2/c1-3-12-18-13-8-7-11-15(18)16(17(19)20-2)14-9-5-4-6-10-14/h3-6,9-10,15-16H,1,7-8,11-13H2,2H3/t15-,16-/m1/s1
InChIKeyWMEIWLRYZFKRDU-HZPDHXFCSA-N
MW273.38 g/mol
LogP2.98
Rot. Bonds5

About methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate

methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate (PubChem CID 52947332) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate
PubChem CID52947332
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate
SMILESC=CCN1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C17H23NO2/c1-3-12-18-13-8-7-11-15(18)16(17(19)20-2)14-9-5-4-6-10-14/h3-6,9-10,15-16H,1,7-8,11-13H2,2H3/t15-,16-/m1/s1
InChIKeyWMEIWLRYZFKRDU-HZPDHXFCSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Meperidine
CID 4058
Methylphenidate
CID 4158
Focalin
CID 154100
Meperidine Hydrochloride
CID 5750
Methylphenidate Hydrochloride
CID 9280
Piperidolate
CID 4839
Dexmethylphenidate
CID 154101
Tilidine
CID 30131
D-104 (FDA NDC: 58264-0110)
CID 3014059
2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
4-((2,2-Diphenylacetyl)oxy)-1,1-dimethylpiperidinium
CID 1734
Piperidinium, 1,1-dimethyl-4-((3-methyl-1-oxo-2-phenylpentyl)oxy)-, methyl sulfate (1:1)
CID 71367

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate (CID 52947332) is methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate is C=CCN1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate?
The InChIKey is WMEIWLRYZFKRDU-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-12-18-13-8-7-11-15(18)16(17(19)20-2)14-9-5-4-6-10-14/h3-6,9-10,15-16H,1,7-8,11-13H2,2H3/t15-,16-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate has a molecular weight of 273.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-enylpiperidin-2-yl]acetate is sourced from PubChem (CID 52947332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).