1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone

C14H20N2O — CID 62387830

IUPAC1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C14H20N2O/c1-11-3-2-4-12(9-11)10-14(17)16-7-5-13(15)6-8-16/h2-4,9,13H,5-8,10,15H2,1H3
InChIKeyLPTKTCAKHGHIEB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.49
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone

1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone (PubChem CID 62387830) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
PubChem CID62387830
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C14H20N2O/c1-11-3-2-4-12(9-11)10-14(17)16-7-5-13(15)6-8-16/h2-4,9,13H,5-8,10,15H2,1H3
InChIKeyLPTKTCAKHGHIEB-UHFFFAOYSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79737478
4-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]butylurea
CID 166835126
2-(3-methylphenyl)-1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 167903948

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone (CID 62387830) is 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is LPTKTCAKHGHIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-3-2-4-12(9-11)10-14(17)16-7-5-13(15)6-8-16/h2-4,9,13H,5-8,10,15H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone?
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 62387830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).