N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine

C17H26FN3 — CID 63634984

IUPACN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCN1CCN(c2ccc(F)cc2CNC2CC2)CC1C
InChIInChI=1S/C17H26FN3/c1-3-20-8-9-21(12-13(20)2)17-7-4-15(18)10-14(17)11-19-16-5-6-16/h4,7,10,13,16,19H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyTUZQAKKYRBHTKD-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.61
Rot. Bonds5

About N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine

N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 63634984) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID63634984
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCN1CCN(c2ccc(F)cc2CNC2CC2)CC1C
InChIInChI=1S/C17H26FN3/c1-3-20-8-9-21(12-13(20)2)17-7-4-15(18)10-14(17)11-19-16-5-6-16/h4,7,10,13,16,19H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyTUZQAKKYRBHTKD-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073899
2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoroaniline
CID 63610820
N-[[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62972720
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63635865
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 115560640
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
CID 55216386
(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 43581752
N-[[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594212
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63620942
N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 61405500
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 43313848

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine (CID 63634984) is N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine is CCN1CCN(c2ccc(F)cc2CNC2CC2)CC1C.
What is the InChIKey of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is TUZQAKKYRBHTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-3-20-8-9-21(12-13(20)2)17-7-4-15(18)10-14(17)11-19-16-5-6-16/h4,7,10,13,16,19H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 291.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63634984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).