1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine

C17H28FN3 — CID 62645529

IUPAC1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCNC(CCN1CCN(C(C)C)CC1)c1cccc(F)c1
InChIInChI=1S/C17H28FN3/c1-14(2)21-11-9-20(10-12-21)8-7-17(19-3)15-5-4-6-16(18)13-15/h4-6,13-14,17,19H,7-12H2,1-3H3
InChIKeyRLYXVLCTPRBRRG-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.50
Rot. Bonds6

About 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine

1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 62645529) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID62645529
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCNC(CCN1CCN(C(C)C)CC1)c1cccc(F)c1
InChIInChI=1S/C17H28FN3/c1-14(2)21-11-9-20(10-12-21)8-7-17(19-3)15-5-4-6-16(18)13-15/h4-6,13-14,17,19H,7-12H2,1-3H3
InChIKeyRLYXVLCTPRBRRG-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

1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79933339
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62774063
1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 107519754
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 55160971
2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
CID 58631035
1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine
CID 162361422
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62644421
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine (CID 62645529) is 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine is CNC(CCN1CCN(C(C)C)CC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is RLYXVLCTPRBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-14(2)21-11-9-20(10-12-21)8-7-17(19-3)15-5-4-6-16(18)13-15/h4-6,13-14,17,19H,7-12H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)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 1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62645529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).