[(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate

C19H19NO2 — CID 134830796

IUPAC[(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate
SMILESO=C(O[C@@H](C1=NCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c21-19(16-11-5-2-6-12-16)22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-6,9-12,18H,7-8,13-14H2/t18-/m1/s1
InChIKeyUOYKTJXWWOKNLK-GOSISDBHSA-N
MW293.37 g/mol
LogP4.21
Rot. Bonds4

About [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate

[(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate (PubChem CID 134830796) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate.

Molecular Properties

Compound Name[(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate
PubChem CID134830796
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name[(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate
SMILESO=C(O[C@@H](C1=NCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c21-19(16-11-5-2-6-12-16)22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-6,9-12,18H,7-8,13-14H2/t18-/m1/s1
InChIKeyUOYKTJXWWOKNLK-GOSISDBHSA-N
XLogP4.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(Benzyloxy)piperidino]butyl benzoate
CID 9969234
[(1S)-2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethyl] acetate;hydrochloride
CID 46230993
Propanocaine
CID 71631
Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, benzoate (ester)
CID 382526
2-(Dimethylamino)-1-phenylethyl benzoate
CID 32873
1-Piperidinepropanol, 2-phenethyl-, benzoate, hydrochloride
CID 3060662
4-Piperidinol, 1-phenethyl, benzoate, hydrochloride
CID 3060694
[2-(1-Methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate
CID 74412786
(4-Hydroxyiminocyclohexyl) benzoate
CID 570653
[2-(2,2,2-Trifluoroacetyl)iminocyclohexyl] benzoate
CID 134843169
6-Phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
CID 2806511
3-Methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
CID 2806512

Frequently Asked Questions

What is the IUPAC name of [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate?
The IUPAC name of [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate (CID 134830796) is [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate.
What is the SMILES notation for [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate?
The canonical SMILES for [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate is O=C(O[C@@H](C1=NCCCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate?
The InChIKey is UOYKTJXWWOKNLK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(16-11-5-2-6-12-16)22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-6,9-12,18H,7-8,13-14H2/t18-/m1/s1.
What are the key properties of [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate?
[(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate has a molecular weight of 293.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate is sourced from PubChem (CID 134830796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).