1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone

C15H24N4O2 — CID 68521880

IUPAC1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCOc1cc(N2CCN(C(=O)CN(C)C)CC2)ccc1N
InChIInChI=1S/C15H24N4O2/c1-17(2)11-15(20)19-8-6-18(7-9-19)12-4-5-13(16)14(10-12)21-3/h4-5,10H,6-9,11,16H2,1-3H3
InChIKeyFFHRNUJMPPVHSR-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.49
Rot. Bonds4

About 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone

1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 68521880) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone
PubChem CID68521880
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCOc1cc(N2CCN(C(=O)CN(C)C)CC2)ccc1N
InChIInChI=1S/C15H24N4O2/c1-17(2)11-15(20)19-8-6-18(7-9-19)12-4-5-13(16)14(10-12)21-3/h4-5,10H,6-9,11,16H2,1-3H3
InChIKeyFFHRNUJMPPVHSR-UHFFFAOYSA-N
XLogP0.49
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate
CID 89069999
2-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 89069998
1-[4-(4-amino-3-methoxyphenyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 68593370
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
N'-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;trihydrochloride
CID 142768667
9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 135305096
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736
1-[4-[4-amino-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-hydroxyethanone
CID 68944469
CID 89393426
CID 89393426
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone (CID 68521880) is 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone is COc1cc(N2CCN(C(=O)CN(C)C)CC2)ccc1N.
What is the InChIKey of 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is FFHRNUJMPPVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17(2)11-15(20)19-8-6-18(7-9-19)12-4-5-13(16)14(10-12)21-3/h4-5,10H,6-9,11,16H2,1-3H3.
What are the key properties of 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone?
1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 292.38 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 68521880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).