ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate

C16H25N3O3 — CID 168974910

IUPACethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cncc(CCCCO)n2)CC1
InChIInChI=1S/C16H25N3O3/c1-2-22-16(21)13-6-8-19(9-7-13)15-12-17-11-14(18-15)5-3-4-10-20/h11-13,20H,2-10H2,1H3
InChIKeyFSHASBJOFMHVRS-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.57
Rot. Bonds7

About ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate

ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate (PubChem CID 168974910) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate
PubChem CID168974910
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nameethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cncc(CCCCO)n2)CC1
InChIInChI=1S/C16H25N3O3/c1-2-22-16(21)13-6-8-19(9-7-13)15-12-17-11-14(18-15)5-3-4-10-20/h11-13,20H,2-10H2,1H3
InChIKeyFSHASBJOFMHVRS-UHFFFAOYSA-N
XLogP1.57
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
CID 168974968
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
CID 168974985
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate (CID 168974910) is ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cncc(CCCCO)n2)CC1.
What is the InChIKey of ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate?
The InChIKey is FSHASBJOFMHVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-22-16(21)13-6-8-19(9-7-13)15-12-17-11-14(18-15)5-3-4-10-20/h11-13,20H,2-10H2,1H3.
What are the key properties of ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate?
ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 168974910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).