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

C14H21N3O3 — CID 90104243

IUPAC(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(CCO)CC2)ccc1N
InChIInChI=1S/C14H21N3O3/c1-20-13-10-11(2-3-12(13)15)14(19)17-6-4-16(5-7-17)8-9-18/h2-3,10,18H,4-9,15H2,1H3
InChIKeyQNQBBXQKMFUXOC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.03
Rot. Bonds4

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

(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 90104243) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID90104243
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(CCO)CC2)ccc1N
InChIInChI=1S/C14H21N3O3/c1-20-13-10-11(2-3-12(13)15)14(19)17-6-4-16(5-7-17)8-9-18/h2-3,10,18H,4-9,15H2,1H3
InChIKeyQNQBBXQKMFUXOC-UHFFFAOYSA-N
XLogP0.03
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.03
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

(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 118286378
(4-amino-3-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796729
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923
[3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 154920973
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 90104243) is (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(CCO)CC2)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is QNQBBXQKMFUXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-13-10-11(2-3-12(13)15)14(19)17-6-4-16(5-7-17)8-9-18/h2-3,10,18H,4-9,15H2,1H3.
What are the key properties of (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90104243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).