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

C24H31NO2 — CID 52946144

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCc1ccccc1
InChIInChI=1S/C24H31NO2/c1-27-24(26)23(21-15-6-3-7-16-21)22-17-9-11-19-25(22)18-10-8-14-20-12-4-2-5-13-20/h2-7,12-13,15-16,22-23H,8-11,14,17-19H2,1H3/t22-,23-/m1/s1
InChIKeyTYKSHJPRQWJNHO-DHIUTWEWSA-N
MW365.52 g/mol
LogP4.82
Rot. Bonds8

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

methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate (PubChem CID 52946144) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate
PubChem CID52946144
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCc1ccccc1
InChIInChI=1S/C24H31NO2/c1-27-24(26)23(21-15-6-3-7-16-21)22-17-9-11-19-25(22)18-10-8-14-20-12-4-2-5-13-20/h2-7,12-13,15-16,22-23H,8-11,14,17-19H2,1H3/t22-,23-/m1/s1
InChIKeyTYKSHJPRQWJNHO-DHIUTWEWSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.82
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-(4-phenylbutyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate (CID 52946144) is methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCc1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate?
The InChIKey is TYKSHJPRQWJNHO-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H31NO2/c1-27-24(26)23(21-15-6-3-7-16-21)22-17-9-11-19-25(22)18-10-8-14-20-12-4-2-5-13-20/h2-7,12-13,15-16,22-23H,8-11,14,17-19H2,1H3/t22-,23-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]acetate has a molecular weight of 365.52 g/mol, XLogP of 4.82, 8 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-(4-phenylbutyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52946144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).