1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol

C17H22FN3O2 — CID 54223521

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2/c18-14-2-4-15(5-3-14)20-12-10-19(11-13-20)8-1-9-21-16(22)6-7-17(21)23/h2-7,22-23H,1,8-13H2
InChIKeyQEGRLRHSCAHTJO-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.25
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol (PubChem CID 54223521) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
PubChem CID54223521
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2/c18-14-2-4-15(5-3-14)20-12-10-19(11-13-20)8-1-9-21-16(22)6-7-17(21)23/h2-7,22-23H,1,8-13H2
InChIKeyQEGRLRHSCAHTJO-UHFFFAOYSA-N
XLogP2.25
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
CID 30031547
5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile
CID 65257938
1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
CID 142648014
4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoic acid
CID 22180536
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617104
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 3074813
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10786275
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol (CID 54223521) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol is Oc1ccc(O)n1CCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol?
The InChIKey is QEGRLRHSCAHTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-2-4-15(5-3-14)20-12-10-19(11-13-20)8-1-9-21-16(22)6-7-17(21)23/h2-7,22-23H,1,8-13H2.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol has a molecular weight of 319.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol is sourced from PubChem (CID 54223521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).