2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol

C19H23FN2O2 — CID 10268423

IUPAC2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H23FN2O2/c20-17-3-1-16(2-4-17)15-24-19-7-5-18(6-8-19)22-11-9-21(10-12-22)13-14-23/h1-8,23H,9-15H2
InChIKeyMLBUZAMDFZYLAJ-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol

2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol (PubChem CID 10268423) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol
PubChem CID10268423
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H23FN2O2/c20-17-3-1-16(2-4-17)15-24-19-7-5-18(6-8-19)22-11-9-21(10-12-22)13-14-23/h1-8,23H,9-15H2
InChIKeyMLBUZAMDFZYLAJ-UHFFFAOYSA-N
XLogP2.52
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
CID 82346708
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
CID 2846220
2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 39052897
1-(4-fluorophenyl)-1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]prop-2-yn-1-ol
CID 87295263
1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
CID 54061741
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
N'-[[4-(cyanomethoxy)phenyl]methyl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 167910543
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol (CID 10268423) is 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol?
The InChIKey is MLBUZAMDFZYLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-17-3-1-16(2-4-17)15-24-19-7-5-18(6-8-19)22-11-9-21(10-12-22)13-14-23/h1-8,23H,9-15H2.
What are the key properties of 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol?
2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol has a molecular weight of 330.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 10268423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).