1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione

C13H21N3O3 — CID 10849441

IUPAC1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCCO)cc1N1CCCCC1
InChIInChI=1S/C13H21N3O3/c17-9-5-4-8-16-10-11(12(18)14-13(16)19)15-6-2-1-3-7-15/h10,17H,1-9H2,(H,14,18,19)
InChIKeyIOIHUDSLCITQPS-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.30
Rot. Bonds5

About 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione

1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione (PubChem CID 10849441) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione
PubChem CID10849441
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCCO)cc1N1CCCCC1
InChIInChI=1S/C13H21N3O3/c17-9-5-4-8-16-10-11(12(18)14-13(16)19)15-6-2-1-3-7-15/h10,17H,1-9H2,(H,14,18,19)
InChIKeyIOIHUDSLCITQPS-UHFFFAOYSA-N
XLogP0.30
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione (CID 10849441) is 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCCCO)cc1N1CCCCC1.
What is the InChIKey of 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione?
The InChIKey is IOIHUDSLCITQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c17-9-5-4-8-16-10-11(12(18)14-13(16)19)15-6-2-1-3-7-15/h10,17H,1-9H2,(H,14,18,19).
What are the key properties of 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione?
1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 10849441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).