2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid

C14H24N2O2 — CID 82119731

IUPAC2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C14H24N2O2/c17-14(18)12-16-10-8-15(9-11-16)7-6-13-4-2-1-3-5-13/h4H,1-3,5-12H2,(H,17,18)
InChIKeyHJXFJCITTVTNDG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.58
Rot. Bonds5

About 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid

2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid (PubChem CID 82119731) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
PubChem CID82119731
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C14H24N2O2/c17-14(18)12-16-10-8-15(9-11-16)7-6-13-4-2-1-3-5-13/h4H,1-3,5-12H2,(H,17,18)
InChIKeyHJXFJCITTVTNDG-UHFFFAOYSA-N
XLogP1.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine
CID 113073175
1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane
CID 10944742
4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 113073163
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 113073111
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113073154
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073115
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113073131
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104787

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid (CID 82119731) is 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid?
The InChIKey is HJXFJCITTVTNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(18)12-16-10-8-15(9-11-16)7-6-13-4-2-1-3-5-13/h4H,1-3,5-12H2,(H,17,18).
What are the key properties of 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid?
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid has a molecular weight of 252.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 82119731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).