1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine

C13H20FN3 — CID 116939924

IUPAC1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
SMILESNC(CCN1CCNCC1)c1ccccc1F
InChIInChI=1S/C13H20FN3/c14-12-4-2-1-3-11(12)13(15)5-8-17-9-6-16-7-10-17/h1-4,13,16H,5-10,15H2
InChIKeyJGQDVVPZLYFRMT-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.12
Rot. Bonds4

About 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine

1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116939924) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116939924
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
SMILESNC(CCN1CCNCC1)c1ccccc1F
InChIInChI=1S/C13H20FN3/c14-12-4-2-1-3-11(12)13(15)5-8-17-9-6-16-7-10-17/h1-4,13,16H,5-10,15H2
InChIKeyJGQDVVPZLYFRMT-UHFFFAOYSA-N
XLogP1.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 62643929
[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 62644418
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643618
3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643340
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643237
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116939912
1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine
CID 82131506
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474862
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine (CID 116939924) is 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine is NC(CCN1CCNCC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is JGQDVVPZLYFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c14-12-4-2-1-3-11(12)13(15)5-8-17-9-6-16-7-10-17/h1-4,13,16H,5-10,15H2.
What are the key properties of 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine?
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116939924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).