N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine

C17H28FN3 — CID 115415645

IUPACN-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CN(C)CCN1C)c1ccc(F)cc1
InChIInChI=1S/C17H28FN3/c1-4-9-19-17(14-5-7-15(18)8-6-14)12-16-13-20(2)10-11-21(16)3/h5-8,16-17,19H,4,9-13H2,1-3H3
InChIKeyLFLKWLFWEQNTIY-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine

N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 115415645) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID115415645
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CN(C)CCN1C)c1ccc(F)cc1
InChIInChI=1S/C17H28FN3/c1-4-9-19-17(14-5-7-15(18)8-6-14)12-16-13-20(2)10-11-21(16)3/h5-8,16-17,19H,4,9-13H2,1-3H3
InChIKeyLFLKWLFWEQNTIY-UHFFFAOYSA-N
XLogP2.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633
1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 115415275
[2-(1,4-dimethylpiperazin-2-yl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105260295
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
1-(4-fluorophenyl)-3-morpholin-4-yl-N-propylpropan-1-amine
CID 62643389
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
[1-(2,5-difluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260174

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine (CID 115415645) is N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(CC1CN(C)CCN1C)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is LFLKWLFWEQNTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-9-19-17(14-5-7-15(18)8-6-14)12-16-13-20(2)10-11-21(16)3/h5-8,16-17,19H,4,9-13H2,1-3H3.
What are the key properties of N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115415645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).