3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol

C16H25FN2O — CID 107721087

IUPAC3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol
SMILESCC(C)CN1CCN(C(C)c2ccc(O)cc2F)CC1
InChIInChI=1S/C16H25FN2O/c1-12(2)11-18-6-8-19(9-7-18)13(3)15-5-4-14(20)10-16(15)17/h4-5,10,12-13,20H,6-9,11H2,1-3H3
InChIKeyWLSJRUAYZAXXNN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.87
Rot. Bonds4

About 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol

3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol (PubChem CID 107721087) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol
PubChem CID107721087
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol
SMILESCC(C)CN1CCN(C(C)c2ccc(O)cc2F)CC1
InChIInChI=1S/C16H25FN2O/c1-12(2)11-18-6-8-19(9-7-18)13(3)15-5-4-14(20)10-16(15)17/h4-5,10,12-13,20H,6-9,11H2,1-3H3
InChIKeyWLSJRUAYZAXXNN-UHFFFAOYSA-N
XLogP2.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[1-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenol
CID 107721024
4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline
CID 154967774
4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol
CID 107721132
4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol
CID 107721149
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
4-[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-fluorophenol
CID 107720997
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol
CID 107714678
4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
CID 82979763
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
3-fluoro-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310658
4-[1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-fluorophenol
CID 107720739

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol (CID 107721087) is 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol is CC(C)CN1CCN(C(C)c2ccc(O)cc2F)CC1.
What is the InChIKey of 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol?
The InChIKey is WLSJRUAYZAXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)11-18-6-8-19(9-7-18)13(3)15-5-4-14(20)10-16(15)17/h4-5,10,12-13,20H,6-9,11H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol?
3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol has a molecular weight of 280.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol is sourced from PubChem (CID 107721087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).