2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone

C16H24N2O — CID 81322765

IUPAC2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2ccccc2CN)C1C
InChIInChI=1S/C16H24N2O/c1-12-6-5-9-18(13(12)2)16(19)10-14-7-3-4-8-15(14)11-17/h3-4,7-8,12-13H,5-6,9-11,17H2,1-2H3
InChIKeyKJMFLLPAPHBUEI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.33
Rot. Bonds3

About 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone

2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 81322765) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
PubChem CID81322765
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2ccccc2CN)C1C
InChIInChI=1S/C16H24N2O/c1-12-6-5-9-18(13(12)2)16(19)10-14-7-3-4-8-15(14)11-17/h3-4,7-8,12-13H,5-6,9-11,17H2,1-2H3
InChIKeyKJMFLLPAPHBUEI-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
2-[2-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634492
2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 81322086
1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867427
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
2-[2-(aminomethyl)phenyl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 81322397
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62124682
5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 65388638
2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
CID 22888721
2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
CID 130932525

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone (CID 81322765) is 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cc2ccccc2CN)C1C.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is KJMFLLPAPHBUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-5-9-18(13(12)2)16(19)10-14-7-3-4-8-15(14)11-17/h3-4,7-8,12-13H,5-6,9-11,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone?
2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 81322765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).