[phenyl(pyrrolidin-1-yl)methyl] benzoate

C18H19NO2 — CID 162398748

IUPAC[phenyl(pyrrolidin-1-yl)methyl] benzoate
SMILESO=C(OC(c1ccccc1)N1CCCC1)c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(16-11-5-2-6-12-16)21-17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2
InChIKeyWGJUOXWEHHJUMV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.64
Rot. Bonds4

About [phenyl(pyrrolidin-1-yl)methyl] benzoate

[phenyl(pyrrolidin-1-yl)methyl] benzoate (PubChem CID 162398748) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [phenyl(pyrrolidin-1-yl)methyl] benzoate.

Molecular Properties

Compound Name[phenyl(pyrrolidin-1-yl)methyl] benzoate
PubChem CID162398748
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[phenyl(pyrrolidin-1-yl)methyl] benzoate
SMILESO=C(OC(c1ccccc1)N1CCCC1)c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(16-11-5-2-6-12-16)21-17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2
InChIKeyWGJUOXWEHHJUMV-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[phenyl(pyrrolidin-1-yl)methyl] carbonochloridate
CID 174805703
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
CID 177441507
[hydroxy(phenyl)methyl] benzoate
CID 22715526
[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride
CID 174693585
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743
1-phenylethyl benzoate
CID 174857426
[(R)-cyano(phenyl)methyl] benzoate
CID 12617356
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride
CID 24845460
[(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate
CID 175255593
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497

Frequently Asked Questions

What is the IUPAC name of [phenyl(pyrrolidin-1-yl)methyl] benzoate?
The IUPAC name of [phenyl(pyrrolidin-1-yl)methyl] benzoate (CID 162398748) is [phenyl(pyrrolidin-1-yl)methyl] benzoate.
What is the SMILES notation for [phenyl(pyrrolidin-1-yl)methyl] benzoate?
The canonical SMILES for [phenyl(pyrrolidin-1-yl)methyl] benzoate is O=C(OC(c1ccccc1)N1CCCC1)c1ccccc1.
What is the InChIKey of [phenyl(pyrrolidin-1-yl)methyl] benzoate?
The InChIKey is WGJUOXWEHHJUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(16-11-5-2-6-12-16)21-17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2.
What are the key properties of [phenyl(pyrrolidin-1-yl)methyl] benzoate?
[phenyl(pyrrolidin-1-yl)methyl] benzoate has a molecular weight of 281.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(pyrrolidin-1-yl)methyl] benzoate is sourced from PubChem (CID 162398748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).