2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one

C17H26N2O2 — CID 78947051

IUPAC2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc([C@@H](C)N)c(OC(C)C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-7-8-15(13(2)18)16(11-12)21-14(3)17(20)19-9-5-4-6-10-19/h7-8,11,13-14H,4-6,9-10,18H2,1-3H3/t13-,14?/m1/s1
InChIKeySTMRCEZIHZRKIC-KWCCSABGSA-N
MW290.41 g/mol
LogP2.79
Rot. Bonds4

About 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one

2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 78947051) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID78947051
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc([C@@H](C)N)c(OC(C)C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-7-8-15(13(2)18)16(11-12)21-14(3)17(20)19-9-5-4-6-10-19/h7-8,11,13-14H,4-6,9-10,18H2,1-3H3/t13-,14?/m1/s1
InChIKeySTMRCEZIHZRKIC-KWCCSABGSA-N
XLogP2.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 63322604
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999
(2R)-1-(azepan-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 92677756
2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
(2R)-1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 38004866
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504973
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78934249
2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 63067677
4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119250789
(2R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 124588788

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one (CID 78947051) is 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one is Cc1ccc([C@@H](C)N)c(OC(C)C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is STMRCEZIHZRKIC-KWCCSABGSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-8-15(13(2)18)16(11-12)21-14(3)17(20)19-9-5-4-6-10-19/h7-8,11,13-14H,4-6,9-10,18H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one?
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78947051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).