1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one

C12H24N2O — CID 103352029

IUPAC1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CC)CC1CN
InChIInChI=1S/C12H24N2O/c1-3-5-12(15)14-7-6-10(4-2)8-11(14)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyKMSZJAGVCBYBHF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds4

About 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one (PubChem CID 103352029) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
PubChem CID103352029
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CC)CC1CN
InChIInChI=1S/C12H24N2O/c1-3-5-12(15)14-7-6-10(4-2)8-11(14)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyKMSZJAGVCBYBHF-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212829
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557410
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 103352144
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 103352351
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103352163
2-(aminomethyl)-N-cyclohexyl-4-ethylpiperidine-1-carboxamide
CID 103352591
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 103352437
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 107963758

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one (CID 103352029) is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(CC)CC1CN.
What is the InChIKey of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one?
The InChIKey is KMSZJAGVCBYBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-12(15)14-7-6-10(4-2)8-11(14)9-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one?
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one is sourced from PubChem (CID 103352029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).