3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one

C17H26N2O — CID 119488419

IUPAC3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCc2ccc(C)cc2C)C1
InChIInChI=1S/C17H26N2O/c1-13-6-7-15(14(2)11-13)8-9-17(20)19-10-4-5-16(12-19)18-3/h6-7,11,16,18H,4-5,8-10,12H2,1-3H3
InChIKeyHNAOEEGEBQQTGE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.45
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one

3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 119488419) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID119488419
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCc2ccc(C)cc2C)C1
InChIInChI=1S/C17H26N2O/c1-13-6-7-15(14(2)11-13)8-9-17(20)19-10-4-5-16(12-19)18-3/h6-7,11,16,18H,4-5,8-10,12H2,1-3H3
InChIKeyHNAOEEGEBQQTGE-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124628215
3-(2,4-dimethylphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575300
3-(2,5-dimethylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575112
1-(2,5-dimethylphenyl)-4-[3-(methylamino)piperidin-1-yl]butane-1,4-dione
CID 119490854
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124611243
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119492298
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 86924438

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (CID 119488419) is 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCCN(C(=O)CCc2ccc(C)cc2C)C1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is HNAOEEGEBQQTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-6-7-15(14(2)11-13)8-9-17(20)19-10-4-5-16(12-19)18-3/h6-7,11,16,18H,4-5,8-10,12H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119488419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).