4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid

C14H15N3O2 — CID 173124105

IUPAC4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid
SMILESN#Cc1ccccc1C=CN1CCN(C(=O)O)CC1
InChIInChI=1S/C14H15N3O2/c15-11-13-4-2-1-3-12(13)5-6-16-7-9-17(10-8-16)14(18)19/h1-6H,7-10H2,(H,18,19)
InChIKeyDIPJRGHSCOZWES-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.82
Rot. Bonds2

About 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid

4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid (PubChem CID 173124105) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid
PubChem CID173124105
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid
SMILESN#Cc1ccccc1C=CN1CCN(C(=O)O)CC1
InChIInChI=1S/C14H15N3O2/c15-11-13-4-2-1-3-12(13)5-6-16-7-9-17(10-8-16)14(18)19/h1-6H,7-10H2,(H,18,19)
InChIKeyDIPJRGHSCOZWES-UHFFFAOYSA-N
XLogP1.82
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47130966
2-[(E)-3-[(3S)-3-anilinopyrrolidin-1-yl]-3-oxoprop-1-enyl]benzonitrile
CID 95336142
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
2-[(E)-2-cyanoethenyl]benzonitrile
CID 12698510
2-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-1-enyl]benzonitrile
CID 39627159
(E)-2-cyano-3-(2-cyanophenyl)prop-2-enoic acid
CID 21409811
2-[(E)-3-[4-(3-hydroxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile
CID 75402289
2-[(E)-3-oxoprop-1-enyl]benzonitrile
CID 19823346
2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile
CID 10517136
2-[(E)-3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile
CID 55888169
2-[(E)-3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzonitrile chloride
CID 18528343
4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 21105437

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid (CID 173124105) is 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid is N#Cc1ccccc1C=CN1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid?
The InChIKey is DIPJRGHSCOZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-11-13-4-2-1-3-12(13)5-6-16-7-9-17(10-8-16)14(18)19/h1-6H,7-10H2,(H,18,19).
What are the key properties of 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid?
4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyanophenyl)ethenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 173124105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).