methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate

C20H24N2O2 — CID 52950138

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccncc1
InChIInChI=1S/C20H24N2O2/c1-24-20(23)19(17-7-3-2-4-8-17)18-9-5-6-14-22(18)15-16-10-12-21-13-11-16/h2-4,7-8,10-13,18-19H,5-6,9,14-15H2,1H3/t18-,19-/m1/s1
InChIKeyRLLOCIZJNXWKIC-RTBURBONSA-N
MW324.42 g/mol
LogP3.39
Rot. Bonds5

About methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate

methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate (PubChem CID 52950138) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate
PubChem CID52950138
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccncc1
InChIInChI=1S/C20H24N2O2/c1-24-20(23)19(17-7-3-2-4-8-17)18-9-5-6-14-22(18)15-16-10-12-21-13-11-16/h2-4,7-8,10-13,18-19H,5-6,9,14-15H2,1H3/t18-,19-/m1/s1
InChIKeyRLLOCIZJNXWKIC-RTBURBONSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate with MolForge

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Related Compounds

Tropicamide
CID 5593
Tropicamide, (R)-
CID 688595
[(3R)-1-(3-pyridin-3-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
CID 57399406
(+/-)-threo-N-(3-Methylpyridine)methylphenidate
CID 52943482
(+/-)-threo-N-(2-Methylpyridine)methylphenidate
CID 52943483
[(3R)-1-(3-pyridin-4-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
CID 57390665
2-Methyl-3-[4-(pyridin-3-ylmethyl)phenyl]propanoic acid;hydrochloride
CID 12882191
8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid
CID 13417259
(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
CID 13417260
12-Phenyl-12-pyridin-3-yl-dodec-11-enoic acid
CID 13417266
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
2,2-Dimethyl-8-phenyl-8-pyridin-3-yl-oct-7-enoic acid
CID 13417293

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate (CID 52950138) is methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccncc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate?
The InChIKey is RLLOCIZJNXWKIC-RTBURBONSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-20(23)19(17-7-3-2-4-8-17)18-9-5-6-14-22(18)15-16-10-12-21-13-11-16/h2-4,7-8,10-13,18-19H,5-6,9,14-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate has a molecular weight of 324.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-4-ylmethyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52950138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).