methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate

C14H15FN2O2 — CID 63673144

IUPACmethyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C14H15FN2O2/c1-19-14(18)10-4-6-17(7-5-10)13-3-2-12(15)8-11(13)9-16/h2-3,8,10H,4-7H2,1H3
InChIKeyJBBZLRNNICWBMN-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.09
Rot. Bonds2

About methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate

methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate (PubChem CID 63673144) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
PubChem CID63673144
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namemethyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C14H15FN2O2/c1-19-14(18)10-4-6-17(7-5-10)13-3-2-12(15)8-11(13)9-16/h2-3,8,10H,4-7H2,1H3
InChIKeyJBBZLRNNICWBMN-UHFFFAOYSA-N
XLogP2.09
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
ethyl 1-(2-cyano-5-fluorophenyl)piperidine-4-carboxylate
CID 171316298
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
methyl 1-[2-cyano-5-(2-fluorophenyl)phenyl]piperidine-4-carboxylate
CID 171037847
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
methyl 1-(5-cyano-2-nitrophenyl)piperidine-4-carboxylate
CID 104714066
methyl 1-[1-(2-cyano-4-fluorophenyl)piperidine-4-carbonyl]-3-phenylpyrrolidine-3-carboxylate
CID 167992255
methyl 2-[1-(2-cyano-4-fluorophenyl)piperidine-4-carbonyl]-1-methyl-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 167937369
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994
methyl 1-(2-cyano-5-methoxyphenyl)pyrrolidine-3-carboxylate
CID 81305780
1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide
CID 167954599

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate (CID 63673144) is methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ccc(F)cc2C#N)CC1.
What is the InChIKey of methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate?
The InChIKey is JBBZLRNNICWBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-19-14(18)10-4-6-17(7-5-10)13-3-2-12(15)8-11(13)9-16/h2-3,8,10H,4-7H2,1H3.
What are the key properties of methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate?
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 63673144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).