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

C18H28N2O — CID 103352210

IUPAC1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one
SMILESCCC1CCN(C(=O)C(CC)c2ccccc2)C(CN)C1
InChIInChI=1S/C18H28N2O/c1-3-14-10-11-20(16(12-14)13-19)18(21)17(4-2)15-8-6-5-7-9-15/h5-9,14,16-17H,3-4,10-13,19H2,1-2H3
InChIKeyJXMKIDMIYACOFL-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.16
Rot. Bonds5

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

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one (PubChem CID 103352210) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one
PubChem CID103352210
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one
SMILESCCC1CCN(C(=O)C(CC)c2ccccc2)C(CN)C1
InChIInChI=1S/C18H28N2O/c1-3-14-10-11-20(16(12-14)13-19)18(21)17(4-2)15-8-6-5-7-9-15/h5-9,14,16-17H,3-4,10-13,19H2,1-2H3
InChIKeyJXMKIDMIYACOFL-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 120613580
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-phenylbutan-1-one
CID 80504911
2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 103352598
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]-2-pyrazol-1-ylpropan-1-one
CID 103352188
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63396407
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 80667782
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 120607621
3-[1-(2-phenylbutanoyl)piperidin-2-yl]propanoic acid
CID 120606666
1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
CID 63753267
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one (CID 103352210) is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one is CCC1CCN(C(=O)C(CC)c2ccccc2)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one?
The InChIKey is JXMKIDMIYACOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-14-10-11-20(16(12-14)13-19)18(21)17(4-2)15-8-6-5-7-9-15/h5-9,14,16-17H,3-4,10-13,19H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one?
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one has a molecular weight of 288.43 g/mol, XLogP of 3.16, 5 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]-2-phenylbutan-1-one is sourced from PubChem (CID 103352210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).