2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone

C16H24N2O — CID 55214674

IUPAC2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-16(2)7-9-18(10-8-16)15(19)11-13-3-5-14(12-17)6-4-13/h3-6H,7-12,17H2,1-2H3
InChIKeyHPKSSKMCVYXTHW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.34
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone

2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone (PubChem CID 55214674) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
PubChem CID55214674
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-16(2)7-9-18(10-8-16)15(19)11-13-3-5-14(12-17)6-4-13/h3-6H,7-12,17H2,1-2H3
InChIKeyHPKSSKMCVYXTHW-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
CID 63591376
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
CID 63590690
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-ethylphenyl)ethanone
CID 120808109
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 63589421
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107029300
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone (CID 55214674) is 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone is CC1(C)CCN(C(=O)Cc2ccc(CN)cc2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The InChIKey is HPKSSKMCVYXTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)7-9-18(10-8-16)15(19)11-13-3-5-14(12-17)6-4-13/h3-6H,7-12,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone?
2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55214674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).