[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate

C20H23NO2 — CID 177441507

IUPAC[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
SMILESO=C(O[C@H](CN1CCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c22-20(18-12-6-2-7-13-18)23-19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2/t19-/m1/s1
InChIKeyARFDWWNAZVZZBC-LJQANCHMSA-N
MW309.41 g/mol
LogP4.07
Rot. Bonds5

About [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate

[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate (PubChem CID 177441507) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate.

Molecular Properties

Compound Name[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
PubChem CID177441507
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
SMILESO=C(O[C@H](CN1CCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c22-20(18-12-6-2-7-13-18)23-19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2/t19-/m1/s1
InChIKeyARFDWWNAZVZZBC-LJQANCHMSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
[(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ylpropyl] benzoate
CID 7411313
[phenyl(pyrrolidin-1-yl)methyl] benzoate
CID 162398748
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
CID 58172305
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
CID 3078025

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate?
The IUPAC name of [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate (CID 177441507) is [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate.
What is the SMILES notation for [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate?
The canonical SMILES for [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate is O=C(O[C@H](CN1CCCCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate?
The InChIKey is ARFDWWNAZVZZBC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(18-12-6-2-7-13-18)23-19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2/t19-/m1/s1.
What are the key properties of [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate?
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate has a molecular weight of 309.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate is sourced from PubChem (CID 177441507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).