2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone

C17H26N2O2 — CID 63157315

IUPAC2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone
SMILESCCC1(C)CCN(C(=O)COc2ccccc2CN)CC1
InChIInChI=1S/C17H26N2O2/c1-3-17(2)8-10-19(11-9-17)16(20)13-21-15-7-5-4-6-14(15)12-18/h4-7H,3,8-13,18H2,1-2H3
InChIKeyWZEFLAHGMIMPML-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone

2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone (PubChem CID 63157315) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone
PubChem CID63157315
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone
SMILESCCC1(C)CCN(C(=O)COc2ccccc2CN)CC1
InChIInChI=1S/C17H26N2O2/c1-3-17(2)8-10-19(11-9-17)16(20)13-21-15-7-5-4-6-14(15)12-18/h4-7H,3,8-13,18H2,1-2H3
InChIKeyWZEFLAHGMIMPML-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283261
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107390358
1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 97026017
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530183
prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569944
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569933
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone (CID 63157315) is 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone is CCC1(C)CCN(C(=O)COc2ccccc2CN)CC1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone?
The InChIKey is WZEFLAHGMIMPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-17(2)8-10-19(11-9-17)16(20)13-21-15-7-5-4-6-14(15)12-18/h4-7H,3,8-13,18H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone?
2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63157315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).