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

C13H27ClN2O2 — CID 120817634

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
SMILESCCCCOCC(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-4-5-8-17-9-12(16)15-7-6-11(14)13(2,3)10-15;/h11H,4-10,14H2,1-3H3;1H
InChIKeyJPVWXAYLVTYFAT-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.81
Rot. Bonds5

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

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride (PubChem CID 120817634) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
PubChem CID120817634
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
SMILESCCCCOCC(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-4-5-8-17-9-12(16)15-7-6-11(14)13(2,3)10-15;/h11H,4-10,14H2,1-3H3;1H
InChIKeyJPVWXAYLVTYFAT-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-ethoxybutan-1-one;hydrochloride
CID 120819208
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-butoxyethanone;hydrochloride
CID 120807504
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3,3-dimethylpentan-1-one;hydrochloride
CID 120819086
3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
CID 126820006
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 120816541
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylcyclohexyl)oxyethanone
CID 120816436
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
5-(4-amino-3,3-dimethylpiperidin-1-yl)-5-oxo-N-propylpentanamide
CID 120816503
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride (CID 120817634) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride is CCCCOCC(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride?
The InChIKey is JPVWXAYLVTYFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-4-5-8-17-9-12(16)15-7-6-11(14)13(2,3)10-15;/h11H,4-10,14H2,1-3H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride is sourced from PubChem (CID 120817634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).