3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid

C10H17NO2 — CID 79896258

IUPAC3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid
SMILESCC1CCN(C=CC(=O)O)C(C)C1
InChIInChI=1S/C10H17NO2/c1-8-3-5-11(9(2)7-8)6-4-10(12)13/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyRZJRJLPNGCRUCI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.71
Rot. Bonds2

About 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid

3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid (PubChem CID 79896258) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid
PubChem CID79896258
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid
SMILESCC1CCN(C=CC(=O)O)C(C)C1
InChIInChI=1S/C10H17NO2/c1-8-3-5-11(9(2)7-8)6-4-10(12)13/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyRZJRJLPNGCRUCI-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.71
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 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid (CID 79896258) is 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid is CC1CCN(C=CC(=O)O)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid?
The InChIKey is RZJRJLPNGCRUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-3-5-11(9(2)7-8)6-4-10(12)13/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid?
3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)prop-2-enoic acid is sourced from PubChem (CID 79896258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).