4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid

C13H21NO2 — CID 23388586

IUPAC4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)(C2C=CCCC2)CC1
InChIInChI=1S/C13H21NO2/c1-14-9-7-13(8-10-14,12(15)16)11-5-3-2-4-6-11/h3,5,11H,2,4,6-10H2,1H3,(H,15,16)
InChIKeyUNHDLBCVBMDYCA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.14
Rot. Bonds2

About 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid

4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid (PubChem CID 23388586) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid
PubChem CID23388586
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)(C2C=CCCC2)CC1
InChIInChI=1S/C13H21NO2/c1-14-9-7-13(8-10-14,12(15)16)11-5-3-2-4-6-11/h3,5,11H,2,4,6-10H2,1H3,(H,15,16)
InChIKeyUNHDLBCVBMDYCA-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid (CID 23388586) is 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid is CN1CCC(C(=O)O)(C2C=CCCC2)CC1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid?
The InChIKey is UNHDLBCVBMDYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14-9-7-13(8-10-14,12(15)16)11-5-3-2-4-6-11/h3,5,11H,2,4,6-10H2,1H3,(H,15,16).
What are the key properties of 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid?
4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid has a molecular weight of 223.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 23388586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).