propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate

C16H23NO2 — CID 119025958

IUPACpropyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
SMILESCCCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C16H23NO2/c1-2-12-19-16(18)15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15-/m1/s1
InChIKeyPRMWWEANNQSWAR-HUUCEWRRSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds5

About propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate

propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 119025958) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namepropyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
PubChem CID119025958
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namepropyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
SMILESCCCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C16H23NO2/c1-2-12-19-16(18)15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15-/m1/s1
InChIKeyPRMWWEANNQSWAR-HUUCEWRRSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate (CID 119025958) is propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate is CCCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is PRMWWEANNQSWAR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-12-19-16(18)15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 261.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 119025958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).