2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine

C16H24FN3O — CID 60917802

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine
SMILESNCC(C1CCOC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-4,13,16H,5-12,18H2
InChIKeyLHCQVZXINRAYGX-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.31
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine

2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine (PubChem CID 60917802) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine
PubChem CID60917802
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine
SMILESNCC(C1CCOC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-4,13,16H,5-12,18H2
InChIKeyLHCQVZXINRAYGX-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-Phenylpiperazin-1-yl)oxan-4-yl]methanamine
CID 43608688
N-(3-fluorophenyl)oxan-4-amine
CID 43608420
1-Cyclopropyl-3-[1-(4-fluorophenyl)piperidin-4-yl]-1-(oxolan-3-ylmethyl)urea
CID 71887223
N-(4-fluorophenyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 25219450
4-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 43194688
1-(4-Fluorophenyl)-4-(tetrahydro-3-furanylmethyl)-1,4-diazepane
CID 56907793
5-methyl-N-[1-(oxan-4-yl)ethyl]-1-phenylpyrrolidin-3-amine
CID 84588675
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(oxan-3-ylmethyl)ethanamine
CID 86782168
(3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 171359272
3-Fluoro-4-[6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]aniline
CID 22479523
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
(1S,5R)-N-(4-fluorophenyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine
CID 58946700

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine (CID 60917802) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine is NCC(C1CCOC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine?
The InChIKey is LHCQVZXINRAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-4,13,16H,5-12,18H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine has a molecular weight of 293.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 60917802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).