methyl 1-(4-cyanophenyl)piperidine-2-carboxylate

C14H16N2O2 — CID 113330492

IUPACmethyl 1-(4-cyanophenyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)13-4-2-3-9-16(13)12-7-5-11(10-15)6-8-12/h5-8,13H,2-4,9H2,1H3
InChIKeyIKUZJKGECUYOCM-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.09
Rot. Bonds2

About methyl 1-(4-cyanophenyl)piperidine-2-carboxylate

methyl 1-(4-cyanophenyl)piperidine-2-carboxylate (PubChem CID 113330492) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 1-(4-cyanophenyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-cyanophenyl)piperidine-2-carboxylate
PubChem CID113330492
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 1-(4-cyanophenyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)13-4-2-3-9-16(13)12-7-5-11(10-15)6-8-12/h5-8,13H,2-4,9H2,1H3
InChIKeyIKUZJKGECUYOCM-UHFFFAOYSA-N
XLogP2.09
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)azocane-2-carboxylic acid
CID 114239766
methyl 1-(3-cyanophenyl)pyrrolidine-2-carboxylate
CID 72637225
methyl 1-(4-methylsulfonylphenyl)piperidine-2-carboxylate
CID 115538364
methyl 1-(4-cyanophenyl)sulfonylpiperidine-2-carboxylate
CID 115279298
methyl 1-(4-cyano-2,6-difluorophenyl)piperidine-2-carboxylate
CID 115534551
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
methyl 1-(4-cyanophenyl)piperidine-3-carboxylate
CID 78920280
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
methyl 1-(2-cyano-5-methylphenyl)piperidine-2-carboxylate
CID 115534548
methyl 1-(2-cyano-4-methylphenyl)piperidine-2-carboxylate
CID 107927702
methyl 1-(4-cyano-2-nitrophenyl)pyrrolidine-2-carboxylate
CID 62006998
methyl (2R)-1-[(4-cyano-2-methylphenyl)methyl]piperidine-2-carboxylate
CID 104930222

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-cyanophenyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(4-cyanophenyl)piperidine-2-carboxylate (CID 113330492) is methyl 1-(4-cyanophenyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-cyanophenyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-cyanophenyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1ccc(C#N)cc1.
What is the InChIKey of methyl 1-(4-cyanophenyl)piperidine-2-carboxylate?
The InChIKey is IKUZJKGECUYOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)13-4-2-3-9-16(13)12-7-5-11(10-15)6-8-12/h5-8,13H,2-4,9H2,1H3.
What are the key properties of methyl 1-(4-cyanophenyl)piperidine-2-carboxylate?
methyl 1-(4-cyanophenyl)piperidine-2-carboxylate has a molecular weight of 244.29 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-(4-cyanophenyl)piperidine-2-carboxylate is sourced from PubChem (CID 113330492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).