2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate

C13H25NO3 — CID 14480121

IUPAC2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCCC(C)COC(=O)N1CCCCC1CCO
InChIInChI=1S/C13H25NO3/c1-3-11(2)10-17-13(16)14-8-5-4-6-12(14)7-9-15/h11-12,15H,3-10H2,1-2H3
InChIKeyGQZPUJSDQXEHMT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds5

About 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate

2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 14480121) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID14480121
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCCC(C)COC(=O)N1CCCCC1CCO
InChIInChI=1S/C13H25NO3/c1-3-11(2)10-17-13(16)14-8-5-4-6-12(14)7-9-15/h11-12,15H,3-10H2,1-2H3
InChIKeyGQZPUJSDQXEHMT-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate (CID 14480121) is 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate is CCC(C)COC(=O)N1CCCCC1CCO.
What is the InChIKey of 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is GQZPUJSDQXEHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-11(2)10-17-13(16)14-8-5-4-6-12(14)7-9-15/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 14480121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).