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

C15H30N2O — CID 114212829

IUPAC1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one
SMILESCCC1CCN(C(=O)CCC(C)(C)C)C(CN)C1
InChIInChI=1S/C15H30N2O/c1-5-12-7-9-17(13(10-12)11-16)14(18)6-8-15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyBHAIIYPEMXNYAM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds4

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

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one (PubChem CID 114212829) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one
PubChem CID114212829
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one
SMILESCCC1CCN(C(=O)CCC(C)(C)C)C(CN)C1
InChIInChI=1S/C15H30N2O/c1-5-12-7-9-17(13(10-12)11-16)14(18)6-8-15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyBHAIIYPEMXNYAM-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]-2-(4-chlorophenyl)ethanone
CID 103352351
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557410
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]-3-(furan-2-yl)propan-1-one
CID 103352230
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 103352144
2-(aminomethyl)-N-cyclohexyl-4-ethylpiperidine-1-carboxamide
CID 103352591
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
CID 103353154
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 103441005
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
CID 103440808
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 103440873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one (CID 114212829) is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one is CCC1CCN(C(=O)CCC(C)(C)C)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one?
The InChIKey is BHAIIYPEMXNYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-12-7-9-17(13(10-12)11-16)14(18)6-8-15(2,3)4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one?
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.79, 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]-4,4-dimethylpentan-1-one is sourced from PubChem (CID 114212829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).