benzyl 2-pyrrolidin-1-ylbenzoate

C18H19NO2 — CID 168514928

IUPACbenzyl 2-pyrrolidin-1-ylbenzoate
SMILESO=C(OCc1ccccc1)c1ccccc1N1CCCC1
InChIInChI=1S/C18H19NO2/c20-18(21-14-15-8-2-1-3-9-15)16-10-4-5-11-17(16)19-12-6-7-13-19/h1-5,8-11H,6-7,12-14H2
InChIKeyIJYDEKCOQZHEEV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.64
Rot. Bonds4

About benzyl 2-pyrrolidin-1-ylbenzoate

benzyl 2-pyrrolidin-1-ylbenzoate (PubChem CID 168514928) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl 2-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Namebenzyl 2-pyrrolidin-1-ylbenzoate
PubChem CID168514928
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl 2-pyrrolidin-1-ylbenzoate
SMILESO=C(OCc1ccccc1)c1ccccc1N1CCCC1
InChIInChI=1S/C18H19NO2/c20-18(21-14-15-8-2-1-3-9-15)16-10-4-5-11-17(16)19-12-6-7-13-19/h1-5,8-11H,6-7,12-14H2
InChIKeyIJYDEKCOQZHEEV-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

benzyl 4-bromo-2-piperidin-1-ylbenzoate
CID 155908751
benzyl 1-(2-methoxycarbonylphenyl)piperidine-3-carboxylate
CID 58992661
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
(2-pyrrolidin-1-ylbenzoyl)oxy formate
CID 174847587
2-pyrrolidin-1-ylbenzoyl chloride
CID 140507858
azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid
CID 172697544
2-phenyl-1-(2-piperidin-1-ylphenyl)ethanimine
CID 10684019
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
benzyl piperidine-1-carboxylate
CID 158057698
benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate
CID 169472848

Frequently Asked Questions

What is the IUPAC name of benzyl 2-pyrrolidin-1-ylbenzoate?
The IUPAC name of benzyl 2-pyrrolidin-1-ylbenzoate (CID 168514928) is benzyl 2-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for benzyl 2-pyrrolidin-1-ylbenzoate?
The canonical SMILES for benzyl 2-pyrrolidin-1-ylbenzoate is O=C(OCc1ccccc1)c1ccccc1N1CCCC1.
What is the InChIKey of benzyl 2-pyrrolidin-1-ylbenzoate?
The InChIKey is IJYDEKCOQZHEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21-14-15-8-2-1-3-9-15)16-10-4-5-11-17(16)19-12-6-7-13-19/h1-5,8-11H,6-7,12-14H2.
What are the key properties of benzyl 2-pyrrolidin-1-ylbenzoate?
benzyl 2-pyrrolidin-1-ylbenzoate 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 benzyl 2-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 168514928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).