ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate

C10H19NO3 — CID 11820137

IUPACethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCO)C1
InChIInChI=1S/C10H19NO3/c1-2-14-10(13)9-4-3-5-11(8-9)6-7-12/h9,12H,2-8H2,1H3
InChIKeyNBYYVFCWRAFGQC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds4

About ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate

ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate (PubChem CID 11820137) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate
PubChem CID11820137
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCO)C1
InChIInChI=1S/C10H19NO3/c1-2-14-10(13)9-4-3-5-11(8-9)6-7-12/h9,12H,2-8H2,1H3
InChIKeyNBYYVFCWRAFGQC-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate (CID 11820137) is ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCO)C1.
What is the InChIKey of ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate?
The InChIKey is NBYYVFCWRAFGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-10(13)9-4-3-5-11(8-9)6-7-12/h9,12H,2-8H2,1H3.
What are the key properties of ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate?
ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 11820137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).