4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one

C16H25N3O2 — CID 119833017

IUPAC4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H25N3O2/c17-8-4-7-16(20)19-11-9-18(10-12-19)13-14-21-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14,17H2
InChIKeyPSTFRFXIOAYGAZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.95
Rot. Bonds7

About 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one

4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one (PubChem CID 119833017) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
PubChem CID119833017
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H25N3O2/c17-8-4-7-16(20)19-11-9-18(10-12-19)13-14-21-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14,17H2
InChIKeyPSTFRFXIOAYGAZ-UHFFFAOYSA-N
XLogP0.95
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one (CID 119833017) is 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one?
The InChIKey is PSTFRFXIOAYGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-8-4-7-16(20)19-11-9-18(10-12-19)13-14-21-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14,17H2.
What are the key properties of 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one has a molecular weight of 291.39 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119833017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).