2-(piperidin-1-ylmethyl)prop-2-enoic acid

C9H15NO2 — CID 10080785

IUPAC2-(piperidin-1-ylmethyl)prop-2-enoic acid
SMILESC=C(CN1CCCCC1)C(=O)O
InChIInChI=1S/C9H15NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h1-7H2,(H,11,12)
InChIKeyVSSPIZRPHCYIAT-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.11
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)prop-2-enoic acid

2-(piperidin-1-ylmethyl)prop-2-enoic acid (PubChem CID 10080785) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)prop-2-enoic acid
PubChem CID10080785
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(piperidin-1-ylmethyl)prop-2-enoic acid
SMILESC=C(CN1CCCCC1)C(=O)O
InChIInChI=1S/C9H15NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h1-7H2,(H,11,12)
InChIKeyVSSPIZRPHCYIAT-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)prop-2-enoic acid?
The IUPAC name of 2-(piperidin-1-ylmethyl)prop-2-enoic acid (CID 10080785) is 2-(piperidin-1-ylmethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)prop-2-enoic acid?
The canonical SMILES for 2-(piperidin-1-ylmethyl)prop-2-enoic acid is C=C(CN1CCCCC1)C(=O)O.
What is the InChIKey of 2-(piperidin-1-ylmethyl)prop-2-enoic acid?
The InChIKey is VSSPIZRPHCYIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h1-7H2,(H,11,12).
What are the key properties of 2-(piperidin-1-ylmethyl)prop-2-enoic acid?
2-(piperidin-1-ylmethyl)prop-2-enoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)prop-2-enoic acid is sourced from PubChem (CID 10080785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).