(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one

C15H22N2O2 — CID 100616621

IUPAC(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(N)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-3-4-9-17(11)15(18)12(2)19-14-8-5-7-13(16)10-14/h5,7-8,10-12H,3-4,6,9,16H2,1-2H3/t11-,12-/m1/s1
InChIKeyKRLPIRNUUPBPII-VXGBXAGGSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds3

About (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one

(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one (PubChem CID 100616621) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
PubChem CID100616621
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(N)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-3-4-9-17(11)15(18)12(2)19-14-8-5-7-13(16)10-14/h5,7-8,10-12H,3-4,6,9,16H2,1-2H3/t11-,12-/m1/s1
InChIKeyKRLPIRNUUPBPII-VXGBXAGGSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-aminophenoxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 100616662
2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 133164884
1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119437418
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119466741
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 100616782
2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one
CID 119466539
2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 3717576
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
(2S)-1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)propan-1-one
CID 124692166

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one (CID 100616621) is (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one is C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(N)c1.
What is the InChIKey of (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The InChIKey is KRLPIRNUUPBPII-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-3-4-9-17(11)15(18)12(2)19-14-8-5-7-13(16)10-14/h5,7-8,10-12H,3-4,6,9,16H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 100616621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).