1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine

C16H23FN2O2 — CID 65201976

IUPAC1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine
SMILESFc1cc(OCCC2CCCO2)ccc1N1CCNCC1
InChIInChI=1S/C16H23FN2O2/c17-15-12-14(21-11-5-13-2-1-10-20-13)3-4-16(15)19-8-6-18-7-9-19/h3-4,12-13,18H,1-2,5-11H2
InChIKeyOXUHPDWMPJYTDM-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.18
Rot. Bonds5

About 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine

1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine (PubChem CID 65201976) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine
PubChem CID65201976
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine
SMILESFc1cc(OCCC2CCCO2)ccc1N1CCNCC1
InChIInChI=1S/C16H23FN2O2/c17-15-12-14(21-11-5-13-2-1-10-20-13)3-4-16(15)19-8-6-18-7-9-19/h3-4,12-13,18H,1-2,5-11H2
InChIKeyOXUHPDWMPJYTDM-UHFFFAOYSA-N
XLogP2.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane
CID 65166523
1-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]-1,4-diazepane
CID 83137987
1-[2-fluoro-4-(3-methylbutoxy)phenyl]-1,4-diazepane
CID 65201837
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
1-[4-(2-ethylsulfonylethoxy)-2-fluorophenyl]piperazine
CID 65202165
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine
CID 65166577
trifluoro-[2-methyl-4-[2-(oxolan-2-yl)ethoxy]phenyl]boranuide
CID 83140518
2-(3,4-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 62598927
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 55890047
2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
CID 65163188

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine (CID 65201976) is 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine is Fc1cc(OCCC2CCCO2)ccc1N1CCNCC1.
What is the InChIKey of 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine?
The InChIKey is OXUHPDWMPJYTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-15-12-14(21-11-5-13-2-1-10-20-13)3-4-16(15)19-8-6-18-7-9-19/h3-4,12-13,18H,1-2,5-11H2.
What are the key properties of 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine?
1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine has a molecular weight of 294.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine is sourced from PubChem (CID 65201976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).