N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine

C16H26FN3 — CID 84753440

IUPACN-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCCN1CCN(c2cc(CNC(C)C)ccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-4-19-7-9-20(10-8-19)16-11-14(5-6-15(16)17)12-18-13(2)3/h5-6,11,13,18H,4,7-10,12H2,1-3H3
InChIKeyGZZVICMJJNRGNA-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.47
Rot. Bonds5

About N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine

N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine (PubChem CID 84753440) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
PubChem CID84753440
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCCN1CCN(c2cc(CNC(C)C)ccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-4-19-7-9-20(10-8-19)16-11-14(5-6-15(16)17)12-18-13(2)3/h5-6,11,13,18H,4,7-10,12H2,1-3H3
InChIKeyGZZVICMJJNRGNA-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 84753773
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]butan-2-amine
CID 84753227
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
3-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methylamino]propanoic acid
CID 84753447
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060171
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine (CID 84753440) is N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine is CCN1CCN(c2cc(CNC(C)C)ccc2F)CC1.
What is the InChIKey of N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine?
The InChIKey is GZZVICMJJNRGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-4-19-7-9-20(10-8-19)16-11-14(5-6-15(16)17)12-18-13(2)3/h5-6,11,13,18H,4,7-10,12H2,1-3H3.
What are the key properties of N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine?
N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 84753440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).