3-(4-benzylpiperidin-1-yl)oxolan-2-one

C16H21NO2 — CID 10587370

IUPAC3-(4-benzylpiperidin-1-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO2/c18-16-15(8-11-19-16)17-9-6-14(7-10-17)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyIHVMFXNIGWITBD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.26
Rot. Bonds3

About 3-(4-benzylpiperidin-1-yl)oxolan-2-one

3-(4-benzylpiperidin-1-yl)oxolan-2-one (PubChem CID 10587370) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)oxolan-2-one
PubChem CID10587370
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-(4-benzylpiperidin-1-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO2/c18-16-15(8-11-19-16)17-9-6-14(7-10-17)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyIHVMFXNIGWITBD-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylphenyl)propyl piperidin-1-ylacetate
CID 4169248
Acetic acid 1-(4-phenyl-piperidin-1-ylmethyl)-propyl ester
CID 15925889
methyl 2-[(2R,6S)-2,6-bis(2-phenylethyl)piperidin-1-yl]acetate
CID 76314848
1-Methyl-1-(2-oxo-2-(3-phenylpropoxy)ethyl)piperidin-1-ium iodide
CID 16192815
Acetic acid 2-(4-phenyl-piperidin-1-yl)-ethyl ester
CID 15925891
1-(2-Acetoxy-ethyl)-1-methyl-4-phenyl-piperidinium
CID 15925894
Butyric acid 2-(4-phenyl-piperidin-1-yl)-cyclohexyl ester
CID 15925903
3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one
CID 71455999
Ethyl 2-(4-phenylpiperidino)acetate
CID 3829780
2(3H)-Furanone, dihydro-3-(4-morpholinylmethyl)-4-phenyl-
CID 3043538
Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, ethyl ester
CID 6444856
Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester
CID 6444858

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)oxolan-2-one?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)oxolan-2-one (CID 10587370) is 3-(4-benzylpiperidin-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)oxolan-2-one?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)oxolan-2-one is O=C1OCCC1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)oxolan-2-one?
The InChIKey is IHVMFXNIGWITBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16-15(8-11-19-16)17-9-6-14(7-10-17)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2.
What are the key properties of 3-(4-benzylpiperidin-1-yl)oxolan-2-one?
3-(4-benzylpiperidin-1-yl)oxolan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)oxolan-2-one is sourced from PubChem (CID 10587370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).