butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate

C14H27NO3 — CID 111461966

IUPACbutyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate
SMILESCCCCOC(=O)C(C)N1CCCCC1CCO
InChIInChI=1S/C14H27NO3/c1-3-4-11-18-14(17)12(2)15-9-6-5-7-13(15)8-10-16/h12-13,16H,3-11H2,1-2H3
InChIKeyCBZXSUSWHBWITO-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.96
Rot. Bonds7

About butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate

butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate (PubChem CID 111461966) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namebutyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate
PubChem CID111461966
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namebutyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate
SMILESCCCCOC(=O)C(C)N1CCCCC1CCO
InChIInChI=1S/C14H27NO3/c1-3-4-11-18-14(17)12(2)15-9-6-5-7-13(15)8-10-16/h12-13,16H,3-11H2,1-2H3
InChIKeyCBZXSUSWHBWITO-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate?
The IUPAC name of butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate (CID 111461966) is butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate?
The canonical SMILES for butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate is CCCCOC(=O)C(C)N1CCCCC1CCO.
What is the InChIKey of butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate?
The InChIKey is CBZXSUSWHBWITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-4-11-18-14(17)12(2)15-9-6-5-7-13(15)8-10-16/h12-13,16H,3-11H2,1-2H3.
What are the key properties of butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate?
butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate has a molecular weight of 257.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 111461966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).