4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol

C19H19F5N2O — CID 87852247

IUPAC4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C19H19F5N2O/c20-18(21,19(22,23)24)15-3-1-14(2-4-15)13-25-9-11-26(12-10-25)16-5-7-17(27)8-6-16/h1-8,27H,9-13H2
InChIKeyQRUFFRPUVXHMRB-UHFFFAOYSA-N
MW386.36 g/mol
LogP4.37
Rot. Bonds4

About 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol

4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol (PubChem CID 87852247) has the molecular formula C19H19F5N2O and a molecular weight of 386.36 g/mol. Its IUPAC name is 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol
PubChem CID87852247
Molecular FormulaC19H19F5N2O
Molecular Weight386.36 g/mol
Exact Mass386.14
IUPAC Name4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C19H19F5N2O/c20-18(21,19(22,23)24)15-3-1-14(2-4-15)13-25-9-11-26(12-10-25)16-5-7-17(27)8-6-16/h1-8,27H,9-13H2
InChIKeyQRUFFRPUVXHMRB-UHFFFAOYSA-N
XLogP4.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
1-[4-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]propan-1-one
CID 100934736
methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoate
CID 8690662
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
CID 11545168
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988
4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol
CID 70873700
3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
CID 110008096
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol
CID 86998725
4-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]phenol
CID 9027604
methyl 2-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methylpropanoate
CID 69085600

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol (CID 87852247) is 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol?
The InChIKey is QRUFFRPUVXHMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N2O/c20-18(21,19(22,23)24)15-3-1-14(2-4-15)13-25-9-11-26(12-10-25)16-5-7-17(27)8-6-16/h1-8,27H,9-13H2.
What are the key properties of 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol?
4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol has a molecular weight of 386.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 87852247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).