3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol

C14H21FN2O — CID 113343915

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(CO)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H21FN2O/c1-12(11-18)10-16-6-8-17(9-7-16)14-5-3-2-4-13(14)15/h2-5,12,18H,6-11H2,1H3
InChIKeyFVFXXWROMSWRLJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.58
Rot. Bonds4

About 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol

3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 113343915) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
PubChem CID113343915
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(CO)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H21FN2O/c1-12(11-18)10-16-6-8-17(9-7-16)14-5-3-2-4-13(14)15/h2-5,12,18H,6-11H2,1H3
InChIKeyFVFXXWROMSWRLJ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
CID 63570573
1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 116679480
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 2132816
1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 53180184
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol (CID 113343915) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol is CC(CO)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol?
The InChIKey is FVFXXWROMSWRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-12(11-18)10-16-6-8-17(9-7-16)14-5-3-2-4-13(14)15/h2-5,12,18H,6-11H2,1H3.
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol?
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 113343915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).