2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

C16H24N2O — CID 63589232

IUPAC2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cc2ccc(CN)cc2)C1
InChIInChI=1S/C16H24N2O/c1-12-7-13(2)11-18(10-12)16(19)8-14-3-5-15(9-17)6-4-14/h3-6,12-13H,7-11,17H2,1-2H3
InChIKeyMNQDELQSGIHKLN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 63589232) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID63589232
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cc2ccc(CN)cc2)C1
InChIInChI=1S/C16H24N2O/c1-12-7-13(2)11-18(10-12)16(19)8-14-3-5-15(9-17)6-4-14/h3-6,12-13H,7-11,17H2,1-2H3
InChIKeyMNQDELQSGIHKLN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 63589232) is 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)Cc2ccc(CN)cc2)C1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is MNQDELQSGIHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-7-13(2)11-18(10-12)16(19)8-14-3-5-15(9-17)6-4-14/h3-6,12-13H,7-11,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.19, 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-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63589232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).