ethyl 2-(3-hydroxypiperidin-1-yl)acetate

C9H17NO3 — CID 50988010

IUPACethyl 2-(3-hydroxypiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCC(O)C1
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)7-10-5-3-4-8(11)6-10/h8,11H,2-7H2,1H3
InChIKeyUFPOXIDCAFAGCW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.01
Rot. Bonds3

About ethyl 2-(3-hydroxypiperidin-1-yl)acetate

ethyl 2-(3-hydroxypiperidin-1-yl)acetate (PubChem CID 50988010) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(3-hydroxypiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxypiperidin-1-yl)acetate
PubChem CID50988010
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(3-hydroxypiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCC(O)C1
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)7-10-5-3-4-8(11)6-10/h8,11H,2-7H2,1H3
InChIKeyUFPOXIDCAFAGCW-UHFFFAOYSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxypiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-hydroxypiperidin-1-yl)acetate (CID 50988010) is ethyl 2-(3-hydroxypiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-hydroxypiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-hydroxypiperidin-1-yl)acetate is CCOC(=O)CN1CCCC(O)C1.
What is the InChIKey of ethyl 2-(3-hydroxypiperidin-1-yl)acetate?
The InChIKey is UFPOXIDCAFAGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-9(12)7-10-5-3-4-8(11)6-10/h8,11H,2-7H2,1H3.
What are the key properties of ethyl 2-(3-hydroxypiperidin-1-yl)acetate?
ethyl 2-(3-hydroxypiperidin-1-yl)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxypiperidin-1-yl)acetate is sourced from PubChem (CID 50988010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).