methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate

C22H27NO3 — CID 52942312

IUPACmethyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C22H27NO3/c1-25-19-13-11-17(12-14-19)16-23-15-7-6-10-20(23)21(22(24)26-2)18-8-4-3-5-9-18/h3-5,8-9,11-14,20-21H,6-7,10,15-16H2,1-2H3/t20-,21-/m1/s1
InChIKeyPMKFGPNZRGUOSJ-NHCUHLMSSA-N
MW353.46 g/mol
LogP4.01
Rot. Bonds6

About methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate

methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate (PubChem CID 52942312) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
PubChem CID52942312
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Namemethyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C22H27NO3/c1-25-19-13-11-17(12-14-19)16-23-15-7-6-10-20(23)21(22(24)26-2)18-8-4-3-5-9-18/h3-5,8-9,11-14,20-21H,6-7,10,15-16H2,1-2H3/t20-,21-/m1/s1
InChIKeyPMKFGPNZRGUOSJ-NHCUHLMSSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate with MolForge

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Related Compounds

methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate
CID 52943482
methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate
CID 52945836
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]acetate
CID 52943483
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate
CID 83982500
(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 35528693
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63853661
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate (CID 52942312) is methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The InChIKey is PMKFGPNZRGUOSJ-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-19-13-11-17(12-14-19)16-23-15-7-6-10-20(23)21(22(24)26-2)18-8-4-3-5-9-18/h3-5,8-9,11-14,20-21H,6-7,10,15-16H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate?
methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate has a molecular weight of 353.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate is sourced from PubChem (CID 52942312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).