methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate

C26H35NO2 — CID 52945263

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCCCc1ccccc1
InChIInChI=1S/C26H35NO2/c1-29-26(28)25(23-17-9-5-10-18-23)24-19-11-13-21-27(24)20-12-3-2-6-14-22-15-7-4-8-16-22/h4-5,7-10,15-18,24-25H,2-3,6,11-14,19-21H2,1H3/t24-,25-/m1/s1
InChIKeyJMGUVGDMBREFCW-JWQCQUIFSA-N
MW393.57 g/mol
LogP5.60
Rot. Bonds10

About methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate

methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate (PubChem CID 52945263) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate
PubChem CID52945263
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCCCc1ccccc1
InChIInChI=1S/C26H35NO2/c1-29-26(28)25(23-17-9-5-10-18-23)24-19-11-13-21-27(24)20-12-3-2-6-14-22-15-7-4-8-16-22/h4-5,7-10,15-18,24-25H,2-3,6,11-14,19-21H2,1H3/t24-,25-/m1/s1
InChIKeyJMGUVGDMBREFCW-JWQCQUIFSA-N
XLogP5.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate (CID 52945263) is methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCCCc1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate?
The InChIKey is JMGUVGDMBREFCW-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H35NO2/c1-29-26(28)25(23-17-9-5-10-18-23)24-19-11-13-21-27(24)20-12-3-2-6-14-22-15-7-4-8-16-22/h4-5,7-10,15-18,24-25H,2-3,6,11-14,19-21H2,1H3/t24-,25-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate has a molecular weight of 393.57 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(2R)-1-(6-phenylhexyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52945263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).