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

C14H19NO2 — CID 3040629

IUPACmethyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1
InChIKeyDUGOZIWVEXMGBE-QWHCGFSZSA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds3

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

methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate (PubChem CID 3040629) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate
PubChem CID3040629
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1
InChIKeyDUGOZIWVEXMGBE-QWHCGFSZSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4158
CID 4158
CID 154100
CID 154100
CID 9280
CID 9280
CID 154101
CID 154101
CID 30131
CID 30131
CID 32414
CID 32414
CID 3080846
CID 3080846
CID 86863
CID 86863
CID 44296390
CID 44296390
CID 52944002
CID 52944002
CID 110942
CID 110942
CID 10106631
CID 10106631

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate (CID 3040629) is methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate?
The InChIKey is DUGOZIWVEXMGBE-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate is sourced from PubChem (CID 3040629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).