5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one

C14H19N3O2 — CID 3021869

IUPAC5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCC(N2CCN(c3ccc(O)cc3)CC2)N1
InChIInChI=1S/C14H19N3O2/c18-12-3-1-11(2-4-12)16-7-9-17(10-8-16)13-5-6-14(19)15-13/h1-4,13,18H,5-10H2,(H,15,19)
InChIKeyYYWLYJCEXQFQJQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.75
Rot. Bonds2

About 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one

5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 3021869) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID3021869
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCC(N2CCN(c3ccc(O)cc3)CC2)N1
InChIInChI=1S/C14H19N3O2/c18-12-3-1-11(2-4-12)16-7-9-17(10-8-16)13-5-6-14(19)15-13/h1-4,13,18H,5-10H2,(H,15,19)
InChIKeyYYWLYJCEXQFQJQ-UHFFFAOYSA-N
XLogP0.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
CID 92951788
5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one
CID 3021872
1-[(4-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
CID 118207484
9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 164939841
4-(4-phosphanylpiperazin-1-yl)phenol
CID 129203911
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
3-(4-bromophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-diazinane-2,4-dione
CID 73222047
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60952583
5-[[4-(4-sulfanylphenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 171622133
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one (CID 3021869) is 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one is O=C1CCC(N2CCN(c3ccc(O)cc3)CC2)N1.
What is the InChIKey of 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is YYWLYJCEXQFQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-12-3-1-11(2-4-12)16-7-9-17(10-8-16)13-5-6-14(19)15-13/h1-4,13,18H,5-10H2,(H,15,19).
What are the key properties of 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one?
5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 3021869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).