1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one

C16H24N2O3 — CID 39161575

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C16H24N2O3/c19-13-12-17-8-10-18(11-9-17)16(20)7-4-14-21-15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2
InChIKeyUJCQOMGUTIXBFW-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.98
Rot. Bonds7

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one (PubChem CID 39161575) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
PubChem CID39161575
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C16H24N2O3/c19-13-12-17-8-10-18(11-9-17)16(20)7-4-14-21-15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2
InChIKeyUJCQOMGUTIXBFW-UHFFFAOYSA-N
XLogP0.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536249
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
3-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43428056
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95348965
3-methyl-1-[4-(4-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 110800810
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one (CID 39161575) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one is O=C(CCCOc1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one?
The InChIKey is UJCQOMGUTIXBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-13-12-17-8-10-18(11-9-17)16(20)7-4-14-21-15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one has a molecular weight of 292.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one is sourced from PubChem (CID 39161575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).