N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine

C18H28FN3O — CID 75427924

IUPACN-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NC2CCOC2)CC1
InChIInChI=1S/C18H28FN3O/c1-3-21-7-9-22(10-8-21)18-5-4-15(19)12-17(18)14(2)20-16-6-11-23-13-16/h4-5,12,14,16,20H,3,6-11,13H2,1-2H3
InChIKeyBJFQCHTWHAXRMT-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.41
Rot. Bonds5

About N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine (PubChem CID 75427924) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
PubChem CID75427924
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC NameN-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NC2CCOC2)CC1
InChIInChI=1S/C18H28FN3O/c1-3-21-7-9-22(10-8-21)18-5-4-15(19)12-17(18)14(2)20-16-6-11-23-13-16/h4-5,12,14,16,20H,3,6-11,13H2,1-2H3
InChIKeyBJFQCHTWHAXRMT-UHFFFAOYSA-N
XLogP2.41
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[[(2S,5R)-5-methyloxolan-2-yl]methyl]ethanamine
CID 100909588
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
CID 119902822
(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 96563094
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 75471695
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
CID 103776164
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)ethanamine
CID 126813623
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 126818032
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 43313848
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
CID 62974863
1-[(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-3-pyridin-2-ylurea
CID 52516092

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine?
The IUPAC name of N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine (CID 75427924) is N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine.
What is the SMILES notation for N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine?
The canonical SMILES for N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine is CCN1CCN(c2ccc(F)cc2C(C)NC2CCOC2)CC1.
What is the InChIKey of N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine?
The InChIKey is BJFQCHTWHAXRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-3-21-7-9-22(10-8-21)18-5-4-15(19)12-17(18)14(2)20-16-6-11-23-13-16/h4-5,12,14,16,20H,3,6-11,13H2,1-2H3.
What are the key properties of N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine?
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine has a molecular weight of 321.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine is sourced from PubChem (CID 75427924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).