1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol

C15H25N3O2 — CID 43364508

IUPAC1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)COc2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-17-7-9-18(10-8-17)11-14(19)12-20-15-5-3-13(16)4-6-15/h3-6,14,19H,2,7-12,16H2,1H3
InChIKeyWQRUVDBJPHVEBN-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.65
Rot. Bonds6

About 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol

1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol (PubChem CID 43364508) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
PubChem CID43364508
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)COc2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-17-7-9-18(10-8-17)11-14(19)12-20-15-5-3-13(16)4-6-15/h3-6,14,19H,2,7-12,16H2,1H3
InChIKeyWQRUVDBJPHVEBN-UHFFFAOYSA-N
XLogP0.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
1-(4-aminophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 43575187
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 51623853
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882798
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dichloride
CID 46863733
(2S)-1-(4-aminophenoxy)-3-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-2-ol;ethane
CID 143892719
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489
1-(4-aminophenoxy)-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 63166051

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol (CID 43364508) is 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol is CCN1CCN(CC(O)COc2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The InChIKey is WQRUVDBJPHVEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-17-7-9-18(10-8-17)11-14(19)12-20-15-5-3-13(16)4-6-15/h3-6,14,19H,2,7-12,16H2,1H3.
What are the key properties of 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol?
1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 43364508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).