(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one

C16H24N2O2 — CID 104905282

IUPAC(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCC1CCC(C)N(C(=O)[C@H](N)Cc2ccc(O)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-11-3-4-12(2)18(10-11)16(20)15(17)9-13-5-7-14(19)8-6-13/h5-8,11-12,15,19H,3-4,9-10,17H2,1-2H3/t11?,12?,15-/m1/s1
InChIKeySWLDJDWLFYRQEM-KOHJWAIASA-N
MW276.38 g/mol
LogP1.91
Rot. Bonds3

About (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one

(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 104905282) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID104905282
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCC1CCC(C)N(C(=O)[C@H](N)Cc2ccc(O)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-11-3-4-12(2)18(10-11)16(20)15(17)9-13-5-7-14(19)8-6-13/h5-8,11-12,15,19H,3-4,9-10,17H2,1-2H3/t11?,12?,15-/m1/s1
InChIKeySWLDJDWLFYRQEM-KOHJWAIASA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104904754
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000
(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905205
(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905485
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883213
1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780238
(2R)-2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 102780518
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554
2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
2-amino-1-(2,5-dimethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119328145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one (CID 104905282) is (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one is CC1CCC(C)N(C(=O)[C@H](N)Cc2ccc(O)cc2)C1.
What is the InChIKey of (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is SWLDJDWLFYRQEM-KOHJWAIASA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-3-4-12(2)18(10-11)16(20)15(17)9-13-5-7-14(19)8-6-13/h5-8,11-12,15,19H,3-4,9-10,17H2,1-2H3/t11?,12?,15-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 104905282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).