1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine

C17H28FN3 — CID 63619738

IUPAC1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
SMILESCNC(CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H28FN3/c1-17(2)13-21(12-11-20(17)4)10-9-16(19-3)14-5-7-15(18)8-6-14/h5-8,16,19H,9-13H2,1-4H3
InChIKeyPGGNMECKLXUERR-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.50
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine

1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine (PubChem CID 63619738) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
PubChem CID63619738
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
SMILESCNC(CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H28FN3/c1-17(2)13-21(12-11-20(17)4)10-9-16(19-3)14-5-7-15(18)8-6-14/h5-8,16,19H,9-13H2,1-4H3
InChIKeyPGGNMECKLXUERR-UHFFFAOYSA-N
XLogP2.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine (CID 63619738) is 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine is CNC(CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine?
The InChIKey is PGGNMECKLXUERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-17(2)13-21(12-11-20(17)4)10-9-16(19-3)14-5-7-15(18)8-6-14/h5-8,16,19H,9-13H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine?
1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 63619738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).