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

C14H23Cl2FN2O — CID 171273298

IUPAC3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
SMILESCCC[C@@H](c1ccc(O)cc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H21FN2O.2ClH/c1-2-3-14(17-8-6-16-7-9-17)12-5-4-11(18)10-13(12)15;;/h4-5,10,14,16,18H,2-3,6-9H2,1H3;2*1H/t14-;;/m0../s1
InChIKeySISATZRFBDRJPG-UTLKBRERSA-N
MW325.25 g/mol
LogP3.12
Rot. Bonds4

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

3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride (PubChem CID 171273298) has the molecular formula C14H23Cl2FN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride.

Molecular Properties

Compound Name3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
PubChem CID171273298
Molecular FormulaC14H23Cl2FN2O
Molecular Weight325.25 g/mol
Exact Mass324.12
IUPAC Name3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
SMILESCCC[C@@H](c1ccc(O)cc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H21FN2O.2ClH/c1-2-3-14(17-8-6-16-7-9-17)12-5-4-11(18)10-13(12)15;;/h4-5,10,14,16,18H,2-3,6-9H2,1H3;2*1H/t14-;;/m0../s1
InChIKeySISATZRFBDRJPG-UTLKBRERSA-N
XLogP3.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride 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

3-fluoro-4-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171308647
3-fluoro-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310658
3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol
CID 171174160
4-bromo-3-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171289197
3-fluoro-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;hydrochloride
CID 171168332
3-fluoro-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171285915
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)butyl]piperazine
CID 171168534
4-bromo-3-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171276571
4-[(1S)-1-piperazin-1-ylpentyl]benzene-1,3-diol;dihydrochloride
CID 171308726
2-fluoro-6-[(1S)-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162750
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol
CID 171162953
2-fluoro-3-methyl-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300383

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The IUPAC name of 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride (CID 171273298) is 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride.
What is the SMILES notation for 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The canonical SMILES for 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride is CCC[C@@H](c1ccc(O)cc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The InChIKey is SISATZRFBDRJPG-UTLKBRERSA-N. The full InChI is InChI=1S/C14H21FN2O.2ClH/c1-2-3-14(17-8-6-16-7-9-17)12-5-4-11(18)10-13(12)15;;/h4-5,10,14,16,18H,2-3,6-9H2,1H3;2*1H/t14-;;/m0../s1.
What are the key properties of 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride has a molecular weight of 325.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride is sourced from PubChem (CID 171273298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).