2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one

C16H24N2O2 — CID 63322604

IUPAC2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCCCC2)c(CN)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-7-15(14(10-12)11-17)20-13(2)16(19)18-8-4-3-5-9-18/h6-7,10,13H,3-5,8-9,11,17H2,1-2H3
InChIKeySBWAZNOVYZWCEU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one

2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 63322604) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID63322604
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCCCC2)c(CN)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-7-15(14(10-12)11-17)20-13(2)16(19)18-8-4-3-5-9-18/h6-7,10,13H,3-5,8-9,11,17H2,1-2H3
InChIKeySBWAZNOVYZWCEU-UHFFFAOYSA-N
XLogP2.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one
CID 43324773
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 78947051
2-[4-(aminomethyl)-2-methoxyphenoxy]-1-piperidin-1-ylpropan-1-one
CID 43115873
2-[4-(aminomethyl)-2-bromophenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 55147322
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504973
(2R)-1-(azepan-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 92677756
1-(azepan-1-yl)-2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propan-1-one
CID 79163826
2-[4-(2-aminoethyl)-2-bromophenoxy]-1-piperidin-1-ylpropan-1-one
CID 63052674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one (CID 63322604) is 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one is Cc1ccc(OC(C)C(=O)N2CCCCC2)c(CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is SBWAZNOVYZWCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-7-15(14(10-12)11-17)20-13(2)16(19)18-8-4-3-5-9-18/h6-7,10,13H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one?
2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 63322604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).