methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate

C15H21NO2 — CID 10490732

IUPACmethyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C15H21NO2/c1-18-15(17)13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m1/s1
InChIKeyKQASLXDQUSNPET-ZIAGYGMSSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds4

About methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate

methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate (PubChem CID 10490732) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
PubChem CID10490732
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C15H21NO2/c1-18-15(17)13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m1/s1
InChIKeyKQASLXDQUSNPET-ZIAGYGMSSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(1-piperidin-2-ylethyl)carbamate
CID 84710780
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
methyl (2S)-2-[[(2R,3R)-2-methyl-3-pyrrolidin-2-ylbutanoyl]amino]-3-phenylpropanoate
CID 163607860
dimethyl 2,7-di(piperidin-2-yl)octanedioate
CID 24840701
dimethyl 2,6-di(piperidin-2-yl)heptanedioate
CID 24838598
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride
CID 24838597
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride
CID 24837362
2-(1-methoxy-2-phenylethyl)pyrrolidine
CID 22456721
benzyl 2-methyl-3-methylsulfanyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 141143139
methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
CID 23928172

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate?
The IUPAC name of methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate (CID 10490732) is methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate.
What is the SMILES notation for methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate?
The canonical SMILES for methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate is COC(=O)[C@H](Cc1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate?
The InChIKey is KQASLXDQUSNPET-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate?
methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate is sourced from PubChem (CID 10490732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).