methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate

C15H17FN2O2 — CID 63673479

IUPACmethyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1ccc(F)cc1C#N
InChIInChI=1S/C15H17FN2O2/c1-20-15(19)9-13-4-2-3-7-18(13)14-6-5-12(16)8-11(14)10-17/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyQAQXWBKRRLEDLH-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.62
Rot. Bonds3

About methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate

methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate (PubChem CID 63673479) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate
PubChem CID63673479
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Namemethyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1ccc(F)cc1C#N
InChIInChI=1S/C15H17FN2O2/c1-20-15(19)9-13-4-2-3-7-18(13)14-6-5-12(16)8-11(14)10-17/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyQAQXWBKRRLEDLH-UHFFFAOYSA-N
XLogP2.62
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-(3-bromo-4-cyano-2-fluorophenyl)piperidin-2-yl]acetate
CID 107539680
3-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 63674267
methyl 2-[1-(3-bromo-4-cyanophenyl)piperidin-2-yl]acetate
CID 107281357
methyl 2-[(2S)-1-[(2-cyano-5-fluorophenyl)methyl]pyrrolidin-2-yl]acetate
CID 129397792
methyl 2-[(2R)-1-[(2-cyano-5-fluorophenyl)methyl]pyrrolidin-2-yl]acetate
CID 129397793
methyl 2-[1-(2-methyl-4-nitrophenyl)piperidin-2-yl]acetate
CID 62006652
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
methyl 2-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]acetate
CID 62590506
5-fluoro-2-(2-methylpyrrolidin-1-yl)benzonitrile
CID 63668185
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate (CID 63673479) is methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1ccc(F)cc1C#N.
What is the InChIKey of methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate?
The InChIKey is QAQXWBKRRLEDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-20-15(19)9-13-4-2-3-7-18(13)14-6-5-12(16)8-11(14)10-17/h5-6,8,13H,2-4,7,9H2,1H3.
What are the key properties of methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate has a molecular weight of 276.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]acetate is sourced from PubChem (CID 63673479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).