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

C10H19NO3 — CID 54103225

IUPACethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(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/t9-/m1/s1
InChIKeyNBYYVFCWRAFGQC-SECBINFHSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds4

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

ethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate (PubChem CID 54103225) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate
PubChem CID54103225
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(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/t9-/m1/s1
InChIKeyNBYYVFCWRAFGQC-SECBINFHSA-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 (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate (CID 54103225) is ethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CCO)C1.
What is the InChIKey of ethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate?
The InChIKey is NBYYVFCWRAFGQC-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate?
ethyl (3R)-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 (3R)-1-(2-hydroxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 54103225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).