(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol

C15H23FN2O2 — CID 171174205

IUPAC(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
SMILESCOc1ccc([C@H](CCCO)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-20-12-4-5-13(14(16)11-12)15(3-2-10-19)18-8-6-17-7-9-18/h4-5,11,15,17,19H,2-3,6-10H2,1H3/t15-/m0/s1
InChIKeyONTTUNSTHIGLOO-HNNXBMFYSA-N
MW282.36 g/mol
LogP1.55
Rot. Bonds6

About (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol

(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol (PubChem CID 171174205) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol.

Molecular Properties

Compound Name(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
PubChem CID171174205
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
SMILESCOc1ccc([C@H](CCCO)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-20-12-4-5-13(14(16)11-12)15(3-2-10-19)18-8-6-17-7-9-18/h4-5,11,15,17,19H,2-3,6-10H2,1H3/t15-/m0/s1
InChIKeyONTTUNSTHIGLOO-HNNXBMFYSA-N
XLogP1.55
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2-fluoro-4-methoxyphenyl)butyl]piperazine
CID 171168534
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163200
(4S)-4-(4-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174262
3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol
CID 171174160
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286637
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171274014
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173679
(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174171
(4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173767

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol?
The IUPAC name of (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol (CID 171174205) is (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol.
What is the SMILES notation for (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol?
The canonical SMILES for (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol is COc1ccc([C@H](CCCO)N2CCNCC2)c(F)c1.
What is the InChIKey of (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol?
The InChIKey is ONTTUNSTHIGLOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-20-12-4-5-13(14(16)11-12)15(3-2-10-19)18-8-6-17-7-9-18/h4-5,11,15,17,19H,2-3,6-10H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol?
(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol has a molecular weight of 282.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol is sourced from PubChem (CID 171174205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).