3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one

C17H26N2O2 — CID 62199061

IUPAC3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)CCOc2ccccc2N)CC1
InChIInChI=1S/C17H26N2O2/c1-2-5-14-8-11-19(12-9-14)17(20)10-13-21-16-7-4-3-6-15(16)18/h3-4,6-7,14H,2,5,8-13,18H2,1H3
InChIKeyVFZQGIPXCDPJCD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds6

About 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one

3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one (PubChem CID 62199061) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
PubChem CID62199061
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)CCOc2ccccc2N)CC1
InChIInChI=1S/C17H26N2O2/c1-2-5-14-8-11-19(12-9-14)17(20)10-13-21-16-7-4-3-6-15(16)18/h3-4,6-7,14H,2,5,8-13,18H2,1H3
InChIKeyVFZQGIPXCDPJCD-UHFFFAOYSA-N
XLogP3.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
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

2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94895206
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102954849
1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one
CID 119372982
2-(2-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43133117
3-(2-aminophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 61094127
methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
CID 84551777
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
3-(2-bromophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119542780
1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62199243

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one (CID 62199061) is 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one is CCCC1CCN(C(=O)CCOc2ccccc2N)CC1.
What is the InChIKey of 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one?
The InChIKey is VFZQGIPXCDPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-5-14-8-11-19(12-9-14)17(20)10-13-21-16-7-4-3-6-15(16)18/h3-4,6-7,14H,2,5,8-13,18H2,1H3.
What are the key properties of 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one?
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62199061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).