ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride

C8H15ClFNO2 — CID 137331820

IUPACethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1(F)CCCNC1.Cl
InChIInChI=1S/C8H14FNO2.ClH/c1-2-12-7(11)8(9)4-3-5-10-6-8;/h10H,2-6H2,1H3;1H
InChIKeyPQHNYDPUAPKQCQ-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.06
Rot. Bonds2

About ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride

ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride (PubChem CID 137331820) has the molecular formula C8H15ClFNO2 and a molecular weight of 211.66 g/mol. Its IUPAC name is ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
PubChem CID137331820
Molecular FormulaC8H15ClFNO2
Molecular Weight211.66 g/mol
Exact Mass211.08
IUPAC Nameethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1(F)CCCNC1.Cl
InChIInChI=1S/C8H14FNO2.ClH/c1-2-12-7(11)8(9)4-3-5-10-6-8;/h10H,2-6H2,1H3;1H
InChIKeyPQHNYDPUAPKQCQ-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride (CID 137331820) is ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride is CCOC(=O)C1(F)CCCNC1.Cl.
What is the InChIKey of ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride?
The InChIKey is PQHNYDPUAPKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2.ClH/c1-2-12-7(11)8(9)4-3-5-10-6-8;/h10H,2-6H2,1H3;1H.
What are the key properties of ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride?
ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride has a molecular weight of 211.66 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 137331820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).