3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol

C14H21FN2O2 — CID 171174160

IUPAC3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol
SMILESOCCC[C@@H](c1ccc(O)cc1F)N1CCNCC1
InChIInChI=1S/C14H21FN2O2/c15-13-10-11(19)3-4-12(13)14(2-1-9-18)17-7-5-16-6-8-17/h3-4,10,14,16,18-19H,1-2,5-9H2/t14-/m0/s1
InChIKeyHUUCBRNXBCHRRG-AWEZNQCLSA-N
MW268.33 g/mol
LogP1.25
Rot. Bonds5

About 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol

3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol (PubChem CID 171174160) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol
PubChem CID171174160
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol
SMILESOCCC[C@@H](c1ccc(O)cc1F)N1CCNCC1
InChIInChI=1S/C14H21FN2O2/c15-13-10-11(19)3-4-12(13)14(2-1-9-18)17-7-5-16-6-8-17/h3-4,10,14,16,18-19H,1-2,5-9H2/t14-/m0/s1
InChIKeyHUUCBRNXBCHRRG-AWEZNQCLSA-N
XLogP1.25
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(4-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174262
3-fluoro-4-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171308647
3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171273298
3-fluoro-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310658
(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174171
(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174205
(4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173767
(4S)-4-(5-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174266
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol
CID 171162953
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189489
3-fluoro-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;hydrochloride
CID 171168332
(4R)-4-(2-chloro-4-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173584

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol?
The IUPAC name of 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol (CID 171174160) is 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol.
What is the SMILES notation for 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol?
The canonical SMILES for 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol is OCCC[C@@H](c1ccc(O)cc1F)N1CCNCC1.
What is the InChIKey of 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol?
The InChIKey is HUUCBRNXBCHRRG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21FN2O2/c15-13-10-11(19)3-4-12(13)14(2-1-9-18)17-7-5-16-6-8-17/h3-4,10,14,16,18-19H,1-2,5-9H2/t14-/m0/s1.
What are the key properties of 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol?
3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol has a molecular weight of 268.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol is sourced from PubChem (CID 171174160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).