[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol

C14H21FN2O — CID 43313182

IUPAC[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
SMILESCCCN1CCN(c2ccc(F)cc2CO)CC1
InChIInChI=1S/C14H21FN2O/c1-2-5-16-6-8-17(9-7-16)14-4-3-13(15)10-12(14)11-18/h3-4,10,18H,2,5-9,11H2,1H3
InChIKeyJKYWDGCVZYTFIU-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.85
Rot. Bonds4

About [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol

[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol (PubChem CID 43313182) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
PubChem CID43313182
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
SMILESCCCN1CCN(c2ccc(F)cc2CO)CC1
InChIInChI=1S/C14H21FN2O/c1-2-5-16-6-8-17(9-7-16)14-4-3-13(15)10-12(14)11-18/h3-4,10,18H,2,5-9,11H2,1H3
InChIKeyJKYWDGCVZYTFIU-UHFFFAOYSA-N
XLogP1.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol
CID 62774818
[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
CID 28945751
(E)-3-[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]prop-2-enoic acid
CID 43313102
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 43313848
1-(2,4-difluorophenyl)-4-hexylpiperazine
CID 59254947
1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
CID 91805028
2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 43313684
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol
CID 62206262
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
CID 61445256
1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
CID 23142557

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol (CID 43313182) is [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol is CCCN1CCN(c2ccc(F)cc2CO)CC1.
What is the InChIKey of [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol?
The InChIKey is JKYWDGCVZYTFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-5-16-6-8-17(9-7-16)14-4-3-13(15)10-12(14)11-18/h3-4,10,18H,2,5-9,11H2,1H3.
What are the key properties of [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol?
[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol has a molecular weight of 252.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 43313182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).