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

C14H21FN2O — CID 28945751

IUPAC[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
SMILESCCCN1CCN(c2ccc(CO)cc2F)CC1
InChIInChI=1S/C14H21FN2O/c1-2-5-16-6-8-17(9-7-16)14-4-3-12(11-18)10-13(14)15/h3-4,10,18H,2,5-9,11H2,1H3
InChIKeyJRODGESTHRORPR-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.85
Rot. Bonds4

About [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol

[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol (PubChem CID 28945751) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
PubChem CID28945751
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
SMILESCCCN1CCN(c2ccc(CO)cc2F)CC1
InChIInChI=1S/C14H21FN2O/c1-2-5-16-6-8-17(9-7-16)14-4-3-12(11-18)10-13(14)15/h3-4,10,18H,2,5-9,11H2,1H3
InChIKeyJRODGESTHRORPR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol (CID 28945751) is [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol is CCCN1CCN(c2ccc(CO)cc2F)CC1.
What is the InChIKey of [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol?
The InChIKey is JRODGESTHRORPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-5-16-6-8-17(9-7-16)14-4-3-12(11-18)10-13(14)15/h3-4,10,18H,2,5-9,11H2,1H3.
What are the key properties of [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol?
[3-fluoro-4-(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 [3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 28945751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).