ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate

C12H23NO3 — CID 64662609

IUPACethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCCCC1CO
InChIInChI=1S/C12H23NO3/c1-3-11(12(15)16-4-2)13-8-6-5-7-10(13)9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyLTZLSNDFFJEVLJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds5

About ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate

ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate (PubChem CID 64662609) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
PubChem CID64662609
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCCCC1CO
InChIInChI=1S/C12H23NO3/c1-3-11(12(15)16-4-2)13-8-6-5-7-10(13)9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyLTZLSNDFFJEVLJ-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate (CID 64662609) is ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate is CCOC(=O)C(CC)N1CCCCC1CO.
What is the InChIKey of ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate?
The InChIKey is LTZLSNDFFJEVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-11(12(15)16-4-2)13-8-6-5-7-10(13)9-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate?
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 64662609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).