1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone

C16H24N2O — CID 55062758

IUPAC1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O/c1-13-4-3-5-15(12-13)6-9-17-16-7-10-18(11-8-16)14(2)19/h3-5,12,16-17H,6-11H2,1-2H3
InChIKeyYIVGASVKVGSFQA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.14
Rot. Bonds4

About 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone

1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 55062758) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID55062758
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O/c1-13-4-3-5-15(12-13)6-9-17-16-7-10-18(11-8-16)14(2)19/h3-5,12,16-17H,6-11H2,1-2H3
InChIKeyYIVGASVKVGSFQA-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone (CID 55062758) is 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is YIVGASVKVGSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-4-3-5-15(12-13)6-9-17-16-7-10-18(11-8-16)14(2)19/h3-5,12,16-17H,6-11H2,1-2H3.
What are the key properties of 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 55062758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).