1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride

C17H27Cl2N3O3 — CID 23584725

IUPAC1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1CC(O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H25N3O3.2ClH/c21-14(13-20-7-3-6-17(20)23)12-18-8-10-19(11-9-18)15-4-1-2-5-16(15)22;;/h1-2,4-5,14,21-22H,3,6-13H2;2*1H
InChIKeyGFBHXPBNVKMYOX-UHFFFAOYSA-N
MW392.33 g/mol
LogP1.34
Rot. Bonds5

About 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride

1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride (PubChem CID 23584725) has the molecular formula C17H27Cl2N3O3 and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
PubChem CID23584725
Molecular FormulaC17H27Cl2N3O3
Molecular Weight392.33 g/mol
Exact Mass391.14
IUPAC Name1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1CC(O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H25N3O3.2ClH/c21-14(13-20-7-3-6-17(20)23)12-18-8-10-19(11-9-18)15-4-1-2-5-16(15)22;;/h1-2,4-5,14,21-22H,3,6-13H2;2*1H
InChIKeyGFBHXPBNVKMYOX-UHFFFAOYSA-N
XLogP1.34
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 42625491
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
CID 111105846
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111799526
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116576
1-[3-amino-2-(2-hydroxyphenyl)propyl]pyrrolidin-2-one
CID 105494553
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[2-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 95325339

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride (CID 23584725) is 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride is Cl.Cl.O=C1CCCN1CC(O)CN1CCN(c2ccccc2O)CC1.
What is the InChIKey of 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is GFBHXPBNVKMYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.2ClH/c21-14(13-20-7-3-6-17(20)23)12-18-8-10-19(11-9-18)15-4-1-2-5-16(15)22;;/h1-2,4-5,14,21-22H,3,6-13H2;2*1H.
What are the key properties of 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride?
1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 23584725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).