[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine

C13H26N2O — CID 115448905

IUPAC[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
SMILESCCOC1CCN(CC2(CN)CCC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-16-12-4-8-15(9-5-12)11-13(10-14)6-3-7-13/h12H,2-11,14H2,1H3
InChIKeyJLZFEMWYUFHJFN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.62
Rot. Bonds5

About [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine

[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine (PubChem CID 115448905) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
PubChem CID115448905
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
SMILESCCOC1CCN(CC2(CN)CCC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-16-12-4-8-15(9-5-12)11-13(10-14)6-3-7-13/h12H,2-11,14H2,1H3
InChIKeyJLZFEMWYUFHJFN-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3-Dimethylbutyl)piperidin-4-yl]oxyethanamine
CID 82693638
(4-Methoxy-1-methylpiperidin-3-yl)methanamine
CID 89303133
(4R)-4-ethoxy-3,3-dimethylpiperidine
CID 89685812
4-[(1-Methylcyclobutyl)methoxy]piperidine
CID 126985346
1,3,3-Trimethyl-4-propan-2-yloxypiperidine
CID 129256143
7-(3-Propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
CID 135173644
(4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium
CID 140611921
3,3-Dimethyl-1-(3-propan-2-yloxypropyl)piperidine
CID 147106841
(4R)-3,3-dimethyl-4-propoxypiperidine
CID 156329477
6-(2-Propan-2-yloxyethyl)-2,6-diazaspiro[3.5]nonane
CID 172297062
6-(1-Methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
CID 176878935
2-[(4-Ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine
CID 55056082

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine (CID 115448905) is [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine is CCOC1CCN(CC2(CN)CCC2)CC1.
What is the InChIKey of [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine?
The InChIKey is JLZFEMWYUFHJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-16-12-4-8-15(9-5-12)11-13(10-14)6-3-7-13/h12H,2-11,14H2,1H3.
What are the key properties of [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine?
[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 115448905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).