1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid

C14H23NO2 — CID 82476753

IUPAC1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C14H23NO2/c16-14(17)13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,17)
InChIKeyRRTSKVLERREBAB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid

1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 82476753) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID82476753
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C14H23NO2/c16-14(17)13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,17)
InChIKeyRRTSKVLERREBAB-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
CID 113073170
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
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]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104669
1-(2-amino-2-oxoethyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 16909150
2-[2-(cyclohexen-1-yl)ethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 107854223
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113073154
1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106178428

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid (CID 82476753) is 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is RRTSKVLERREBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(17)13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,17).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid?
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82476753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).