4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol

C15H21FN2O — CID 171162953

IUPAC4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol
SMILESOc1ccc([C@H](CC2CC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c16-14-10-12(19)3-4-13(14)15(9-11-1-2-11)18-7-5-17-6-8-18/h3-4,10-11,15,17,19H,1-2,5-9H2/t15-/m0/s1
InChIKeyATPWDTFUZGTXCM-HNNXBMFYSA-N
MW264.34 g/mol
LogP2.28
Rot. Bonds4

About 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol

4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol (PubChem CID 171162953) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol
PubChem CID171162953
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol
SMILESOc1ccc([C@H](CC2CC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c16-14-10-12(19)3-4-13(14)15(9-11-1-2-11)18-7-5-17-6-8-18/h3-4,10-11,15,17,19H,1-2,5-9H2/t15-/m0/s1
InChIKeyATPWDTFUZGTXCM-HNNXBMFYSA-N
XLogP2.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171163073
1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171163632
3-fluoro-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171285915
3-fluoro-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;hydrochloride
CID 171168332
3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol
CID 171174160
3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171273298
2-chloro-6-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol;dihydrochloride
CID 171297826
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
6-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2-fluoro-3-methylphenol
CID 171297905
3-fluoro-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310658
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
3-fluoro-4-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171308647

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol?
The IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol (CID 171162953) is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol.
What is the SMILES notation for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol?
The canonical SMILES for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol is Oc1ccc([C@H](CC2CC2)N2CCNCC2)c(F)c1.
What is the InChIKey of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol?
The InChIKey is ATPWDTFUZGTXCM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-14-10-12(19)3-4-13(14)15(9-11-1-2-11)18-7-5-17-6-8-18/h3-4,10-11,15,17,19H,1-2,5-9H2/t15-/m0/s1.
What are the key properties of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol?
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol has a molecular weight of 264.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol is sourced from PubChem (CID 171162953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).