1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one

C15H22N2O2 — CID 82064923

IUPAC1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCN2CCCCC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-19-15-6-5-12(11-13(15)16)14(18)7-10-17-8-3-2-4-9-17/h5-6,11H,2-4,7-10,16H2,1H3
InChIKeyXLVZDMKDHJGTPU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.34
Rot. Bonds5

About 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one

1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 82064923) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID82064923
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCN2CCCCC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-19-15-6-5-12(11-13(15)16)14(18)7-10-17-8-3-2-4-9-17/h5-6,11H,2-4,7-10,16H2,1H3
InChIKeyXLVZDMKDHJGTPU-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
1-(3-amino-4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064900
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
3-(azepan-1-yl)-1-(3-chloro-4-propan-2-yloxyphenyl)propan-1-one
CID 82052934
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one (CID 82064923) is 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one is COc1ccc(C(=O)CCN2CCCCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is XLVZDMKDHJGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-15-6-5-12(11-13(15)16)14(18)7-10-17-8-3-2-4-9-17/h5-6,11H,2-4,7-10,16H2,1H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one?
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 82064923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).