1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone

C15H28N2O2 — CID 103557410

IUPAC1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCCC1CCN(C(=O)CC2(OC)CCC2)C(CN)C1
InChIInChI=1S/C15H28N2O2/c1-3-12-5-8-17(13(9-12)11-16)14(18)10-15(19-2)6-4-7-15/h12-13H,3-11,16H2,1-2H3
InChIKeyFVTQCUJZBNSUTR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103557410) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
PubChem CID103557410
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCCC1CCN(C(=O)CC2(OC)CCC2)C(CN)C1
InChIInChI=1S/C15H28N2O2/c1-3-12-5-8-17(13(9-12)11-16)14(18)10-15(19-2)6-4-7-15/h12-13H,3-11,16H2,1-2H3
InChIKeyFVTQCUJZBNSUTR-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212829
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103558180
1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103557253
2-(aminomethyl)-N-cyclohexyl-4-ethylpiperidine-1-carboxamide
CID 103352591
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 103352351
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103352163
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 103352144
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557359
N'-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboximidamide
CID 103557944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone (CID 103557410) is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone is CCC1CCN(C(=O)CC2(OC)CCC2)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is FVTQCUJZBNSUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-12-5-8-17(13(9-12)11-16)14(18)10-15(19-2)6-4-7-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103557410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).