1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

C17H26N2O2 — CID 62029422

IUPAC1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCN(C(C)C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-13(19-10-4-5-14(12-19)11-18-2)17(20)15-6-8-16(21-3)9-7-15/h6-9,13-14,18H,4-5,10-12H2,1-3H3
InChIKeyGYVGFYKQSKZKMT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.20
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 62029422) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID62029422
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCN(C(C)C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-13(19-10-4-5-14(12-19)11-18-2)17(20)15-6-8-16(21-3)9-7-15/h6-9,13-14,18H,4-5,10-12H2,1-3H3
InChIKeyGYVGFYKQSKZKMT-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 115965576
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
2-[1-[1-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347768
2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 62029422) is 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is CNCC1CCCN(C(C)C(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GYVGFYKQSKZKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(19-10-4-5-14(12-19)11-18-2)17(20)15-6-8-16(21-3)9-7-15/h6-9,13-14,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 62029422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).