1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone

C14H20N2O2 — CID 82974185

IUPAC1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)c2ccccc2O)CC1
InChIInChI=1S/C14H20N2O2/c1-11(13-5-3-4-6-14(13)18)15-7-9-16(10-8-15)12(2)17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyGDERXGDUNSCLEP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds2

About 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone

1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone (PubChem CID 82974185) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
PubChem CID82974185
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)c2ccccc2O)CC1
InChIInChI=1S/C14H20N2O2/c1-11(13-5-3-4-6-14(13)18)15-7-9-16(10-8-15)12(2)17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyGDERXGDUNSCLEP-UHFFFAOYSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone
CID 155201573
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82979211
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 47110924
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
1-[1-(2-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060864
tert-butyl 4-[1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 169409829
1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone
CID 75382751
1-[4-[(3S,4S)-1-[(1S)-1-(2-fluorophenyl)ethyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837839
1-[4-[(3S,4R)-1-[(1S)-1-(2-fluorophenyl)ethyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 129462079

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone (CID 82974185) is 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(C)c2ccccc2O)CC1.
What is the InChIKey of 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is GDERXGDUNSCLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(13-5-3-4-6-14(13)18)15-7-9-16(10-8-15)12(2)17/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone?
1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 82974185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).