1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one

C15H30N2O — CID 114960563

IUPAC1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C15H30N2O/c1-4-6-7-13(5-2)15(18)17-9-8-12(3)14(10-16)11-17/h12-14H,4-11,16H2,1-3H3
InChIKeyYMIJXPKCWCNDTK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.65
Rot. Bonds6

About 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one

1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one (PubChem CID 114960563) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
PubChem CID114960563
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C15H30N2O/c1-4-6-7-13(5-2)15(18)17-9-8-12(3)14(10-16)11-17/h12-14H,4-11,16H2,1-3H3
InChIKeyYMIJXPKCWCNDTK-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 114498212
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]octan-1-one
CID 114960528
[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 56786895
1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one
CID 61336421
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
1-(3,5-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 63873271

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one?
The IUPAC name of 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one (CID 114960563) is 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one is CCCCC(CC)C(=O)N1CCC(C)C(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one?
The InChIKey is YMIJXPKCWCNDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-6-7-13(5-2)15(18)17-9-8-12(3)14(10-16)11-17/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one?
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one is sourced from PubChem (CID 114960563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).