2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol

C14H21FN2O — CID 90054828

IUPAC2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCc1cc(F)cc(CN2CCN(CCO)CC2)c1
InChIInChI=1S/C14H21FN2O/c1-12-8-13(10-14(15)9-12)11-17-4-2-16(3-5-17)6-7-18/h8-10,18H,2-7,11H2,1H3
InChIKeyDUJHHMDKLKLXMK-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.24
Rot. Bonds4

About 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 90054828) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol
PubChem CID90054828
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCc1cc(F)cc(CN2CCN(CCO)CC2)c1
InChIInChI=1S/C14H21FN2O/c1-12-8-13(10-14(15)9-12)11-17-4-2-16(3-5-17)6-7-18/h8-10,18H,2-7,11H2,1H3
InChIKeyDUJHHMDKLKLXMK-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol (CID 90054828) is 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol is Cc1cc(F)cc(CN2CCN(CCO)CC2)c1.
What is the InChIKey of 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is DUJHHMDKLKLXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-12-8-13(10-14(15)9-12)11-17-4-2-16(3-5-17)6-7-18/h8-10,18H,2-7,11H2,1H3.
What are the key properties of 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 252.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-5-methylphenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 90054828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).