ethyl (3R)-piperidine-3-carboxylate;hydrochloride

C8H16ClNO2 — CID 44828658

IUPACethyl (3R)-piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m1./s1
InChIKeyZCEGLOKZSLNARG-OGFXRTJISA-N
MW193.67 g/mol
LogP0.97
Rot. Bonds2

About ethyl (3R)-piperidine-3-carboxylate;hydrochloride

ethyl (3R)-piperidine-3-carboxylate;hydrochloride (PubChem CID 44828658) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is ethyl (3R)-piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-piperidine-3-carboxylate;hydrochloride
PubChem CID44828658
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nameethyl (3R)-piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m1./s1
InChIKeyZCEGLOKZSLNARG-OGFXRTJISA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-piperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl (3R)-piperidine-3-carboxylate;hydrochloride (CID 44828658) is ethyl (3R)-piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (3R)-piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl (3R)-piperidine-3-carboxylate;hydrochloride is CCOC(=O)[C@@H]1CCCNC1.Cl.
What is the InChIKey of ethyl (3R)-piperidine-3-carboxylate;hydrochloride?
The InChIKey is ZCEGLOKZSLNARG-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m1./s1.
What are the key properties of ethyl (3R)-piperidine-3-carboxylate;hydrochloride?
ethyl (3R)-piperidine-3-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 44828658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).