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

C16H24N2O — CID 63591376

IUPAC2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCN(C(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-2-13-7-9-18(10-8-13)16(19)11-14-3-5-15(12-17)6-4-14/h3-6,13H,2,7-12,17H2,1H3
InChIKeyDJLIBEQLPLYABP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.34
Rot. Bonds4

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

2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone (PubChem CID 63591376) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
PubChem CID63591376
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCN(C(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-2-13-7-9-18(10-8-13)16(19)11-14-3-5-15(12-17)6-4-14/h3-6,13H,2,7-12,17H2,1H3
InChIKeyDJLIBEQLPLYABP-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
CID 63590690
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 55214674
2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 63589421
4-[2-[(3R)-3-ethylpyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470742
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 61114719
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone (CID 63591376) is 2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone is CCC1CCN(C(=O)Cc2ccc(CN)cc2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone?
The InChIKey is DJLIBEQLPLYABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-13-7-9-18(10-8-13)16(19)11-14-3-5-15(12-17)6-4-14/h3-6,13H,2,7-12,17H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone?
2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.34, 4 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-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63591376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).