1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid

C14H19N3O2 — CID 18698005

IUPAC1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid
SMILESC=C(C)C1(C(=O)O)CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C14H19N3O2/c1-10(2)14(13(18)19)5-8-17(9-6-14)12-4-7-15-11(3)16-12/h4,7H,1,5-6,8-9H2,2-3H3,(H,18,19)
InChIKeyZOIKUCFLQYWVGB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.03
Rot. Bonds3

About 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid

1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid (PubChem CID 18698005) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid
PubChem CID18698005
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid
SMILESC=C(C)C1(C(=O)O)CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C14H19N3O2/c1-10(2)14(13(18)19)5-8-17(9-6-14)12-4-7-15-11(3)16-12/h4,7H,1,5-6,8-9H2,2-3H3,(H,18,19)
InChIKeyZOIKUCFLQYWVGB-UHFFFAOYSA-N
XLogP2.03
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid (CID 18698005) is 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid is C=C(C)C1(C(=O)O)CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid?
The InChIKey is ZOIKUCFLQYWVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)14(13(18)19)5-8-17(9-6-14)12-4-7-15-11(3)16-12/h4,7H,1,5-6,8-9H2,2-3H3,(H,18,19).
What are the key properties of 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid?
1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 18698005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).