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

C17H21NO2 — CID 52948667

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate
SMILESC#CCN1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-12-18-13-8-7-11-15(18)16(17(19)20-2)14-9-5-4-6-10-14/h1,4-6,9-10,15-16H,7-8,11-13H2,2H3/t15-,16-/m1/s1
InChIKeyJZWSHRDYZHBSBM-HZPDHXFCSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds4

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

methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate (PubChem CID 52948667) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate
PubChem CID52948667
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate
SMILESC#CCN1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-12-18-13-8-7-11-15(18)16(17(19)20-2)14-9-5-4-6-10-14/h1,4-6,9-10,15-16H,7-8,11-13H2,2H3/t15-,16-/m1/s1
InChIKeyJZWSHRDYZHBSBM-HZPDHXFCSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate (CID 52948667) is methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-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-ynylpiperidin-2-yl]acetate?
The InChIKey is JZWSHRDYZHBSBM-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-12-18-13-8-7-11-15(18)16(17(19)20-2)14-9-5-4-6-10-14/h1,4-6,9-10,15-16H,7-8,11-13H2,2H3/t15-,16-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-prop-2-ynylpiperidin-2-yl]acetate has a molecular weight of 271.36 g/mol, XLogP of 2.43, 4 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-ynylpiperidin-2-yl]acetate is sourced from PubChem (CID 52948667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).