3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

C17H26N2O — CID 115707228

IUPAC3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccccc1C(C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C17H26N2O/c1-14-8-4-5-9-16(14)15(2)18-11-10-17(20)19-12-6-3-7-13-19/h4-5,8-9,15,18H,3,6-7,10-13H2,1-2H3
InChIKeyYYZWVUANABRQSA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.05
Rot. Bonds5

About 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 115707228) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID115707228
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccccc1C(C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C17H26N2O/c1-14-8-4-5-9-16(14)15(2)18-11-10-17(20)19-12-6-3-7-13-19/h4-5,8-9,15,18H,3,6-7,10-13H2,1-2H3
InChIKeyYYZWVUANABRQSA-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
3-(2-methylphenyl)-1-piperidin-1-ylbutan-1-one
CID 71930972
3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43203461
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103777824
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 115707228) is 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is Cc1ccccc1C(C)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YYZWVUANABRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-8-4-5-9-16(14)15(2)18-11-10-17(20)19-12-6-3-7-13-19/h4-5,8-9,15,18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115707228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).