1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride

C14H21ClN2O — CID 119164426

IUPAC1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
SMILESCc1ccccc1CC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-4-2-3-5-12(11)10-14(17)16-8-6-13(15)7-9-16;/h2-5,13H,6-10,15H2,1H3;1H
InChIKeyXCGGSXJERWDZOF-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.91
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride

1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride (PubChem CID 119164426) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
PubChem CID119164426
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
SMILESCc1ccccc1CC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-4-2-3-5-12(11)10-14(17)16-8-6-13(15)7-9-16;/h2-5,13H,6-10,15H2,1H3;1H
InChIKeyXCGGSXJERWDZOF-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
CID 71985156
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 115269778
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
3-(dimethylamino)-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666193
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride (CID 119164426) is 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride is Cc1ccccc1CC(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride?
The InChIKey is XCGGSXJERWDZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-4-2-3-5-12(11)10-14(17)16-8-6-13(15)7-9-16;/h2-5,13H,6-10,15H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.91, 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-(2-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 119164426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).