1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid

C14H23NO2 — CID 23388562

IUPAC1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)(C2(C)C=CCCC2)CC1
InChIInChI=1S/C14H23NO2/c1-13(6-4-3-5-7-13)14(12(16)17)8-10-15(2)11-9-14/h4,6H,3,5,7-11H2,1-2H3,(H,16,17)
InChIKeyWLBPHCWNKATPJO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.53
Rot. Bonds2

About 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid

1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid (PubChem CID 23388562) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid
PubChem CID23388562
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)(C2(C)C=CCCC2)CC1
InChIInChI=1S/C14H23NO2/c1-13(6-4-3-5-7-13)14(12(16)17)8-10-15(2)11-9-14/h4,6H,3,5,7-11H2,1-2H3,(H,16,17)
InChIKeyWLBPHCWNKATPJO-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.53
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 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid (CID 23388562) is 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid is CN1CCC(C(=O)O)(C2(C)C=CCCC2)CC1.
What is the InChIKey of 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid?
The InChIKey is WLBPHCWNKATPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(6-4-3-5-7-13)14(12(16)17)8-10-15(2)11-9-14/h4,6H,3,5,7-11H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid?
1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 23388562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).