1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid

C14H15ClN2O2 — CID 146092891

IUPAC1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2c(Cl)cccc2C#N)CC1
InChIInChI=1S/C14H15ClN2O2/c1-14(13(18)19)5-7-17(8-6-14)12-10(9-16)3-2-4-11(12)15/h2-4H,5-8H2,1H3,(H,18,19)
InChIKeyASDSFMBMDAMTDS-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.90
Rot. Bonds2

About 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid

1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 146092891) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID146092891
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2c(Cl)cccc2C#N)CC1
InChIInChI=1S/C14H15ClN2O2/c1-14(13(18)19)5-7-17(8-6-14)12-10(9-16)3-2-4-11(12)15/h2-4H,5-8H2,1H3,(H,18,19)
InChIKeyASDSFMBMDAMTDS-UHFFFAOYSA-N
XLogP2.90
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid (CID 146092891) is 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(c2c(Cl)cccc2C#N)CC1.
What is the InChIKey of 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is ASDSFMBMDAMTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-14(13(18)19)5-7-17(8-6-14)12-10(9-16)3-2-4-11(12)15/h2-4H,5-8H2,1H3,(H,18,19).
What are the key properties of 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 278.74 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 146092891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).