1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one

C18H28N2O2 — CID 75501620

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one
SMILESCC(NC(CO)c1ccccc1)C(=O)N1C(C)CCCC1C
InChIInChI=1S/C18H28N2O2/c1-13-8-7-9-14(2)20(13)18(22)15(3)19-17(12-21)16-10-5-4-6-11-16/h4-6,10-11,13-15,17,19,21H,7-9,12H2,1-3H3
InChIKeyAOYRSDCRDFWIAP-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.49
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one

1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one (PubChem CID 75501620) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one
PubChem CID75501620
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one
SMILESCC(NC(CO)c1ccccc1)C(=O)N1C(C)CCCC1C
InChIInChI=1S/C18H28N2O2/c1-13-8-7-9-14(2)20(13)18(22)15(3)19-17(12-21)16-10-5-4-6-11-16/h4-6,10-11,13-15,17,19,21H,7-9,12H2,1-3H3
InChIKeyAOYRSDCRDFWIAP-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 80551725
1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
CID 5143900
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
CID 9044707
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 40599711
2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
2-(cyclopentylamino)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184083
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one (CID 75501620) is 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one is CC(NC(CO)c1ccccc1)C(=O)N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one?
The InChIKey is AOYRSDCRDFWIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-8-7-9-14(2)20(13)18(22)15(3)19-17(12-21)16-10-5-4-6-11-16/h4-6,10-11,13-15,17,19,21H,7-9,12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one is sourced from PubChem (CID 75501620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).