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

C19H23FN2O — CID 54506385

IUPAC[4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol
SMILESC[C@@H](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/t15-/m0/s1
InChIKeyYFZVGIYWEHWSQJ-HNNXBMFYSA-N
MW314.40 g/mol
LogP3.20
Rot. Bonds4

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

[4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol (PubChem CID 54506385) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is [4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol
PubChem CID54506385
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name[4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol
SMILESC[C@@H](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/t15-/m0/s1
InChIKeyYFZVGIYWEHWSQJ-HNNXBMFYSA-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-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol?
The IUPAC name of [4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol (CID 54506385) is [4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol.
What is the SMILES notation for [4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol?
The canonical SMILES for [4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol is C[C@@H](c1ccc(CO)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol?
The InChIKey is YFZVGIYWEHWSQJ-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of [4-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol?
[4-[(1S)-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-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]methanol is sourced from PubChem (CID 54506385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).