4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid

C14H18N2O3 — CID 68644265

IUPAC4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
SMILESC=CCOC1(c2cccnc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-2-10-19-14(12-4-3-7-15-11-12)5-8-16(9-6-14)13(17)18/h2-4,7,11H,1,5-6,8-10H2,(H,17,18)
InChIKeyMPMBUNDKEKZBPA-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.25
Rot. Bonds4

About 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid

4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid (PubChem CID 68644265) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
PubChem CID68644265
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
SMILESC=CCOC1(c2cccnc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-2-10-19-14(12-4-3-7-15-11-12)5-8-16(9-6-14)13(17)18/h2-4,7,11H,1,5-6,8-10H2,(H,17,18)
InChIKeyMPMBUNDKEKZBPA-UHFFFAOYSA-N
XLogP2.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The IUPAC name of 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid (CID 68644265) is 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid is C=CCOC1(c2cccnc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The InChIKey is MPMBUNDKEKZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-10-19-14(12-4-3-7-15-11-12)5-8-16(9-6-14)13(17)18/h2-4,7,11H,1,5-6,8-10H2,(H,17,18).
What are the key properties of 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid?
4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 68644265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).