1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride

C12H25ClN2O3 — CID 120814620

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
SMILESCOCCOCC(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-12(2)9-14(5-4-10(12)13)11(15)8-17-7-6-16-3;/h10H,4-9,13H2,1-3H3;1H
InChIKeySPJLPCQHVXCLRM-UHFFFAOYSA-N
MW280.80 g/mol
LogP0.66
Rot. Bonds5

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride (PubChem CID 120814620) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
PubChem CID120814620
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
SMILESCOCCOCC(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-12(2)9-14(5-4-10(12)13)11(15)8-17-7-6-16-3;/h10H,4-9,13H2,1-3H3;1H
InChIKeySPJLPCQHVXCLRM-UHFFFAOYSA-N
XLogP0.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
CID 120817634
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-ethoxybutan-1-one;hydrochloride
CID 120819208
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylcyclohexyl)oxyethanone
CID 120816436
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone
CID 131141980
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3,3-dimethylpentan-1-one;hydrochloride
CID 120819086
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 120815169
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 120815312

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride (CID 120814620) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride is COCCOCC(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride?
The InChIKey is SPJLPCQHVXCLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-12(2)9-14(5-4-10(12)13)11(15)8-17-7-6-16-3;/h10H,4-9,13H2,1-3H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride is sourced from PubChem (CID 120814620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).