1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride

C10H20ClNO2 — CID 3066145

IUPAC1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride
SMILESCCOCCN1CCC(=O)C(C)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-13-7-6-11-5-4-10(12)9(2)8-11;/h9H,3-8H2,1-2H3;1H
InChIKeyUMPCZQNIBSNEKR-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.36
Rot. Bonds4

About 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride

1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride (PubChem CID 3066145) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride
PubChem CID3066145
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride
SMILESCCOCCN1CCC(=O)C(C)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-13-7-6-11-5-4-10(12)9(2)8-11;/h9H,3-8H2,1-2H3;1H
InChIKeyUMPCZQNIBSNEKR-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-(2-Ethoxyethyl)-3-methylpiperidin-4-YL acetate hydrochloride
CID 6602578
1-(2-Methoxyethyl)piperidin-4-one
CID 24710264
3-Methyl-1-morpholin-4-ylbutan-2-one
CID 4355353
2-(4-Morpholinylmethyl)cyclopentanone hydrochloride
CID 382863
1-(2-Ethoxyethyl)-3-methylpiperidin-4-one
CID 3066146
1-(2-Ethoxyethyl)piperidin-4-one
CID 15410842
2-Methyl-4-morpholin-4-ylpentan-3-one
CID 58638043
4-Methyl-5-morpholino-pentane-2-one
CID 129771205
4-(2-Bromoisobutyryl ethyl)morpholine
CID 129892715
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one
CID 63828772
1-[2-(2,2-Difluoroethoxy)ethyl]-3-methylpiperidin-4-one
CID 105908647
3-Methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one
CID 114500226

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride?
The IUPAC name of 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride (CID 3066145) is 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride?
The canonical SMILES for 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride is CCOCCN1CCC(=O)C(C)C1.Cl.
What is the InChIKey of 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride?
The InChIKey is UMPCZQNIBSNEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-3-13-7-6-11-5-4-10(12)9(2)8-11;/h9H,3-8H2,1-2H3;1H.
What are the key properties of 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride?
1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-methylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 3066145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).