1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid

C10H17NO2 — CID 43385776

IUPAC1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid
SMILESC=C(C)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-8(2)7-11-5-3-9(4-6-11)10(12)13/h9H,1,3-7H2,2H3,(H,12,13)
InChIKeyDGGUFJNTYDZPOT-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid

1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid (PubChem CID 43385776) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid
PubChem CID43385776
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid
SMILESC=C(C)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-8(2)7-11-5-3-9(4-6-11)10(12)13/h9H,1,3-7H2,2H3,(H,12,13)
InChIKeyDGGUFJNTYDZPOT-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
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-(2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid (CID 43385776) is 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid is C=C(C)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The InChIKey is DGGUFJNTYDZPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)7-11-5-3-9(4-6-11)10(12)13/h9H,1,3-7H2,2H3,(H,12,13).
What are the key properties of 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid?
1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43385776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).