ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride

C10H20ClNO2 — CID 165145324

IUPACethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CCN[C@H](CC)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-9-7-8(5-6-11-9)10(12)13-4-2;/h8-9,11H,3-7H2,1-2H3;1H/t8-,9-;/m1./s1
InChIKeySAEQXMVBTXUOPJ-VTLYIQCISA-N
MW221.73 g/mol
LogP1.75
Rot. Bonds3

About ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride

ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride (PubChem CID 165145324) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride
PubChem CID165145324
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Nameethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CCN[C@H](CC)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-9-7-8(5-6-11-9)10(12)13-4-2;/h8-9,11H,3-7H2,1-2H3;1H/t8-,9-;/m1./s1
InChIKeySAEQXMVBTXUOPJ-VTLYIQCISA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride (CID 165145324) is ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)[C@@H]1CCN[C@H](CC)C1.Cl.
What is the InChIKey of ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is SAEQXMVBTXUOPJ-VTLYIQCISA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-3-9-7-8(5-6-11-9)10(12)13-4-2;/h8-9,11H,3-7H2,1-2H3;1H/t8-,9-;/m1./s1.
What are the key properties of ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride?
ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-2-ethylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 165145324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).