2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol

C22H29FN2O — CID 23723283

IUPAC2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(CCCc2ccccc2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C22H29FN2O/c23-21-10-8-20(9-11-21)17-25-15-14-24(18-22(25)12-16-26)13-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,22,26H,4,7,12-18H2
InChIKeyFORJUQIVHZMBMT-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.33
Rot. Bonds8

About 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 23723283) has the molecular formula C22H29FN2O and a molecular weight of 356.48 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID23723283
Molecular FormulaC22H29FN2O
Molecular Weight356.48 g/mol
Exact Mass356.23
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(CCCc2ccccc2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C22H29FN2O/c23-21-10-8-20(9-11-21)17-25-15-14-24(18-22(25)12-16-26)13-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,22,26H,4,7,12-18H2
InChIKeyFORJUQIVHZMBMT-UHFFFAOYSA-N
XLogP3.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 23723283) is 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol is OCCC1CN(CCCc2ccccc2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is FORJUQIVHZMBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O/c23-21-10-8-20(9-11-21)17-25-15-14-24(18-22(25)12-16-26)13-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,22,26H,4,7,12-18H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 356.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23723283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).