1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C14H21N3O2 — CID 82071216

IUPAC1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESNc1cccc(C(=O)CN2CCN(CCO)CC2)c1
InChIInChI=1S/C14H21N3O2/c15-13-3-1-2-12(10-13)14(19)11-17-6-4-16(5-7-17)8-9-18/h1-3,10,18H,4-9,11,15H2
InChIKeySXQAMWUBOJVHDT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.06
Rot. Bonds5

About 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 82071216) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID82071216
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESNc1cccc(C(=O)CN2CCN(CCO)CC2)c1
InChIInChI=1S/C14H21N3O2/c15-13-3-1-2-12(10-13)14(19)11-17-6-4-16(5-7-17)8-9-18/h1-3,10,18H,4-9,11,15H2
InChIKeySXQAMWUBOJVHDT-UHFFFAOYSA-N
XLogP0.06
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-(3-methylphenyl)ethanone
CID 107223640
1-(3-aminophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 82071196
1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 82071237
1-(3,4-dihydroxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 163483598
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749
1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 82071142
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
1-(3,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223621
3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612
1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025506
2-(3-aminophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 18894944

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 82071216) is 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is Nc1cccc(C(=O)CN2CCN(CCO)CC2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is SXQAMWUBOJVHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13-3-1-2-12(10-13)14(19)11-17-6-4-16(5-7-17)8-9-18/h1-3,10,18H,4-9,11,15H2.
What are the key properties of 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82071216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).