1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine

C16H26FN3 — CID 61432786

IUPAC1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H26FN3/c1-12(18)15-13(17)6-5-7-14(15)19-8-10-20(11-9-19)16(2,3)4/h5-7,12H,8-11,18H2,1-4H3
InChIKeyMHFLASKOSRFZDU-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.77
Rot. Bonds2

About 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine

1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine (PubChem CID 61432786) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
PubChem CID61432786
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H26FN3/c1-12(18)15-13(17)6-5-7-14(15)19-8-10-20(11-9-19)16(2,3)4/h5-7,12H,8-11,18H2,1-4H3
InChIKeyMHFLASKOSRFZDU-UHFFFAOYSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62993795
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928
(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
1-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974495
(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78936860
(1S)-1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 78935058
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine (CID 61432786) is 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine?
The InChIKey is MHFLASKOSRFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12(18)15-13(17)6-5-7-14(15)19-8-10-20(11-9-19)16(2,3)4/h5-7,12H,8-11,18H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine?
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 61432786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).