[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol

C19H23FN2O — CID 18423030

IUPAC[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol
SMILESCC(c1ccc(CO)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O/c1-15(17-4-2-16(14-23)3-5-17)21-10-12-22(13-11-21)19-8-6-18(20)7-9-19/h2-9,15,23H,10-14H2,1H3
InChIKeyYFZVGIYWEHWSQJ-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.20
Rot. Bonds4

About [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol

[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol (PubChem CID 18423030) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol
PubChem CID18423030
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol
SMILESCC(c1ccc(CO)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O/c1-15(17-4-2-16(14-23)3-5-17)21-10-12-22(13-11-21)19-8-6-18(20)7-9-19/h2-9,15,23H,10-14H2,1H3
InChIKeyYFZVGIYWEHWSQJ-UHFFFAOYSA-N
XLogP3.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol?
The IUPAC name of [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol (CID 18423030) is [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol.
What is the SMILES notation for [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol?
The canonical SMILES for [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol is CC(c1ccc(CO)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol?
The InChIKey is YFZVGIYWEHWSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-15(17-4-2-16(14-23)3-5-17)21-10-12-22(13-11-21)19-8-6-18(20)7-9-19/h2-9,15,23H,10-14H2,1H3.
What are the key properties of [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol?
[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol has a molecular weight of 314.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol is sourced from PubChem (CID 18423030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).