2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone

C16H25N3O2 — CID 63603463

IUPAC2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccc(CN)cc2)CC1(C)C
InChIInChI=1S/C16H25N3O2/c1-16(2)12-19(9-8-18(16)3)15(20)11-21-14-6-4-13(10-17)5-7-14/h4-7H,8-12,17H2,1-3H3
InChIKeyPLOLAAXCXVFODB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.08
Rot. Bonds4

About 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone

2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone (PubChem CID 63603463) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
PubChem CID63603463
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccc(CN)cc2)CC1(C)C
InChIInChI=1S/C16H25N3O2/c1-16(2)12-19(9-8-18(16)3)15(20)11-21-14-6-4-13(10-17)5-7-14/h4-7H,8-12,17H2,1-3H3
InChIKeyPLOLAAXCXVFODB-UHFFFAOYSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)phenoxy]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 28744964
3-(4-aminophenoxy)-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63604670
4-[2-[4-(aminomethyl)phenoxy]acetyl]-1-methyl-1,4-diazepan-2-one
CID 102888179
2-[4-(aminomethyl)phenoxy]-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63605026
2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43585625
2-[4-(aminomethyl)phenoxy]-1-(4-methylazepan-1-yl)ethanone
CID 63622570
2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530186
2-[4-(hydroxymethyl)phenoxy]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 138035512
2-[4-(aminomethyl)phenoxy]-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62988279
1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 64592806
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone (CID 63603463) is 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone is CN1CCN(C(=O)COc2ccc(CN)cc2)CC1(C)C.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The InChIKey is PLOLAAXCXVFODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2)12-19(9-8-18(16)3)15(20)11-21-14-6-4-13(10-17)5-7-14/h4-7H,8-12,17H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone has a molecular weight of 291.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63603463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).