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

C20H25N3O3 — CID 119881234

IUPAC(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O3/c21-17-6-4-5-16(13-17)20(25)23-11-9-22(10-12-23)14-18(24)15-26-19-7-2-1-3-8-19/h1-8,13,18,24H,9-12,14-15,21H2
InChIKeyKABPEAFCUAYJHE-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.47
Rot. Bonds6

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

(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone (PubChem CID 119881234) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
PubChem CID119881234
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O3/c21-17-6-4-5-16(13-17)20(25)23-11-9-22(10-12-23)14-18(24)15-26-19-7-2-1-3-8-19/h1-8,13,18,24H,9-12,14-15,21H2
InChIKeyKABPEAFCUAYJHE-UHFFFAOYSA-N
XLogP1.47
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.47
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

[4-[3-(3-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone;hydrochloride
CID 126476891
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3671492
[4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78849354
1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364468
(2-bromophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 123132402
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
(2S)-2-amino-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119881223
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
[4-[(3R)-4-[4-[(2S)-4-(4-benzoylpiperazin-1-yl)-2-hydroxybutoxy]phenoxy]-3-hydroxybutyl]piperazin-1-yl]-phenylmethanone
CID 98311938
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone (CID 119881234) is (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone is Nc1cccc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)c1.
What is the InChIKey of (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone?
The InChIKey is KABPEAFCUAYJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c21-17-6-4-5-16(13-17)20(25)23-11-9-22(10-12-23)14-18(24)15-26-19-7-2-1-3-8-19/h1-8,13,18,24H,9-12,14-15,21H2.
What are the key properties of (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone?
(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119881234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).