1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one

C11H22N2O — CID 63755741

IUPAC1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1CCN
InChIInChI=1S/C11H22N2O/c1-9(2)11(14)13-8-4-3-5-10(13)6-7-12/h9-10H,3-8,12H2,1-2H3
InChIKeySJIWSGVBAFEJRD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds3

About 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one

1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 63755741) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID63755741
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1CCN
InChIInChI=1S/C11H22N2O/c1-9(2)11(14)13-8-4-3-5-10(13)6-7-12/h9-10H,3-8,12H2,1-2H3
InChIKeySJIWSGVBAFEJRD-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
CID 103840913
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163969592
1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 163854498
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163992865
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 63755741) is 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCCC1CCN.
What is the InChIKey of 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is SJIWSGVBAFEJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)11(14)13-8-4-3-5-10(13)6-7-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 63755741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).