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

C18H27FN2O2 — CID 45168520

IUPAC2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCOCC2)CCN1Cc1ccccc1F
InChIInChI=1S/C18H27FN2O2/c19-18-4-2-1-3-15(18)13-20-8-9-21(14-17(20)5-10-22)16-6-11-23-12-7-16/h1-4,16-17,22H,5-14H2
InChIKeyDHYMMZDRFODYOP-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.87
Rot. Bonds5

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

2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol (PubChem CID 45168520) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
PubChem CID45168520
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCOCC2)CCN1Cc1ccccc1F
InChIInChI=1S/C18H27FN2O2/c19-18-4-2-1-3-15(18)13-20-8-9-21(14-17(20)5-10-22)16-6-11-23-12-7-16/h1-4,16-17,22H,5-14H2
InChIKeyDHYMMZDRFODYOP-UHFFFAOYSA-N
XLogP1.87
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol (CID 45168520) is 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol is OCCC1CN(C2CCOCC2)CCN1Cc1ccccc1F.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol?
The InChIKey is DHYMMZDRFODYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c19-18-4-2-1-3-15(18)13-20-8-9-21(14-17(20)5-10-22)16-6-11-23-12-7-16/h1-4,16-17,22H,5-14H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol?
2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol has a molecular weight of 322.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45168520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).