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

C13H19N3O2 — CID 43501278

IUPAC(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCN(CCO)CC2)c1
InChIInChI=1S/C13H19N3O2/c14-12-3-1-2-11(10-12)13(18)16-6-4-15(5-7-16)8-9-17/h1-3,10,17H,4-9,14H2
InChIKeyUZUCMQDZAVIXDB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.02
Rot. Bonds3

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

(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 43501278) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID43501278
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCN(CCO)CC2)c1
InChIInChI=1S/C13H19N3O2/c14-12-3-1-2-11(10-12)13(18)16-6-4-15(5-7-16)8-9-17/h1-3,10,17H,4-9,14H2
InChIKeyUZUCMQDZAVIXDB-UHFFFAOYSA-N
XLogP0.02
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 82071216
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
[3-(aminomethyl)phenyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107211774
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
(3-aminophenyl)-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119878601
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
2-(3-aminophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 18894944
3-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 63308703
(3-aminophenyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119844309

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 43501278) is (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Nc1cccc(C(=O)N2CCN(CCO)CC2)c1.
What is the InChIKey of (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is UZUCMQDZAVIXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12-3-1-2-11(10-12)13(18)16-6-4-15(5-7-16)8-9-17/h1-3,10,17H,4-9,14H2.
What are the key properties of (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43501278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).