2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine

C16H24FN3O — CID 82839506

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine
SMILESNCC(C1CCCO1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN3O/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(12-18)16-2-1-11-21-16/h3-6,15-16H,1-2,7-12,18H2
InChIKeyJQRWIMLITVNGFX-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine (PubChem CID 82839506) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine
PubChem CID82839506
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine
SMILESNCC(C1CCCO1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN3O/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(12-18)16-2-1-11-21-16/h3-6,15-16H,1-2,7-12,18H2
InChIKeyJQRWIMLITVNGFX-UHFFFAOYSA-N
XLogP1.45
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-yl)-2-thiomorpholin-4-ylethanamine
CID 82836499
4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
CID 134006673
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
1-(4-fluorophenyl)-4-[(1R)-2-methyl-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine
CID 7388868
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
1-(4-fluorophenyl)-4-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668338
1-(4-fluorophenyl)-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 23913682
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide
CID 119120037

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine (CID 82839506) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine is NCC(C1CCCO1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is JQRWIMLITVNGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(12-18)16-2-1-11-21-16/h3-6,15-16H,1-2,7-12,18H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 293.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 82839506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).