butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide

C10H18BrNO2 — CID 45266088

IUPACbutyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide
SMILESBr.CCCCOC(=O)C1=CCNCC1
InChIInChI=1S/C10H17NO2.BrH/c1-2-3-8-13-10(12)9-4-6-11-7-5-9;/h4,11H,2-3,5-8H2,1H3;1H
InChIKeyIYVYJDZFDIOPRN-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.83
Rot. Bonds4

About butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide

butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide (PubChem CID 45266088) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide.

Molecular Properties

Compound Namebutyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide
PubChem CID45266088
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Namebutyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide
SMILESBr.CCCCOC(=O)C1=CCNCC1
InChIInChI=1S/C10H17NO2.BrH/c1-2-3-8-13-10(12)9-4-6-11-7-5-9;/h4,11H,2-3,5-8H2,1H3;1H
InChIKeyIYVYJDZFDIOPRN-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide?
The IUPAC name of butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide (CID 45266088) is butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide.
What is the SMILES notation for butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide?
The canonical SMILES for butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide is Br.CCCCOC(=O)C1=CCNCC1.
What is the InChIKey of butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide?
The InChIKey is IYVYJDZFDIOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.BrH/c1-2-3-8-13-10(12)9-4-6-11-7-5-9;/h4,11H,2-3,5-8H2,1H3;1H.
What are the key properties of butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide?
butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide has a molecular weight of 264.16 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide is sourced from PubChem (CID 45266088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).