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

C14H15ClN2O2 — CID 62492709

IUPACmethyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1
InChIInChI=1S/C14H15ClN2O2/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
InChIKeyJGGNWUZVGXZKQO-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.60
Rot. Bonds2

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

methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate (PubChem CID 62492709) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate
PubChem CID62492709
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Namemethyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1
InChIInChI=1S/C14H15ClN2O2/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
InChIKeyJGGNWUZVGXZKQO-UHFFFAOYSA-N
XLogP2.60
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate (CID 62492709) is methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1.
What is the InChIKey of methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate?
The InChIKey is JGGNWUZVGXZKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/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-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate?
methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 62492709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).