ethyl piperidine-3-carboxylate;tetrahydrochloride

C8H19Cl4NO2 — CID 141165575

IUPACethyl piperidine-3-carboxylate;tetrahydrochloride
SMILESCCOC(=O)C1CCCNC1.Cl.Cl.Cl.Cl
InChIInChI=1S/C8H15NO2.4ClH/c1-2-11-8(10)7-4-3-5-9-6-7;;;;/h7,9H,2-6H2,1H3;4*1H
InChIKeyDMHGODLWJWPCDG-UHFFFAOYSA-N
MW303.06 g/mol
LogP2.24
Rot. Bonds2

About ethyl piperidine-3-carboxylate;tetrahydrochloride

ethyl piperidine-3-carboxylate;tetrahydrochloride (PubChem CID 141165575) has the molecular formula C8H19Cl4NO2 and a molecular weight of 303.06 g/mol. Its IUPAC name is ethyl piperidine-3-carboxylate;tetrahydrochloride.

Molecular Properties

Compound Nameethyl piperidine-3-carboxylate;tetrahydrochloride
PubChem CID141165575
Molecular FormulaC8H19Cl4NO2
Molecular Weight303.06 g/mol
Exact Mass301.02
IUPAC Nameethyl piperidine-3-carboxylate;tetrahydrochloride
SMILESCCOC(=O)C1CCCNC1.Cl.Cl.Cl.Cl
InChIInChI=1S/C8H15NO2.4ClH/c1-2-11-8(10)7-4-3-5-9-6-7;;;;/h7,9H,2-6H2,1H3;4*1H
InChIKeyDMHGODLWJWPCDG-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
CID 141098708
bismuthane;carbamodithioic acid;ethyl piperidine-3-carboxylate
CID 174731342
(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
CID 14183616
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
heptyl piperidine-3-carboxylate
CID 13360541
3,3-dimethylbutyl (3R)-piperidine-3-carboxylate
CID 81119867
2-cyclopropylethyl (3R)-piperidine-3-carboxylate
CID 106202694
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745

Frequently Asked Questions

What is the IUPAC name of ethyl piperidine-3-carboxylate;tetrahydrochloride?
The IUPAC name of ethyl piperidine-3-carboxylate;tetrahydrochloride (CID 141165575) is ethyl piperidine-3-carboxylate;tetrahydrochloride.
What is the SMILES notation for ethyl piperidine-3-carboxylate;tetrahydrochloride?
The canonical SMILES for ethyl piperidine-3-carboxylate;tetrahydrochloride is CCOC(=O)C1CCCNC1.Cl.Cl.Cl.Cl.
What is the InChIKey of ethyl piperidine-3-carboxylate;tetrahydrochloride?
The InChIKey is DMHGODLWJWPCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.4ClH/c1-2-11-8(10)7-4-3-5-9-6-7;;;;/h7,9H,2-6H2,1H3;4*1H.
What are the key properties of ethyl piperidine-3-carboxylate;tetrahydrochloride?
ethyl piperidine-3-carboxylate;tetrahydrochloride has a molecular weight of 303.06 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperidine-3-carboxylate;tetrahydrochloride is sourced from PubChem (CID 141165575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).