3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine

C13H20FN3 — CID 170868010

IUPAC3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine
SMILESNCCCc1cccc(F)c1N1CCNCC1
InChIInChI=1S/C13H20FN3/c14-12-5-1-3-11(4-2-6-15)13(12)17-9-7-16-8-10-17/h1,3,5,16H,2,4,6-10,15H2
InChIKeyDXCWVYDWOVSPEJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.13
Rot. Bonds4

About 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine

3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine (PubChem CID 170868010) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine
PubChem CID170868010
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine
SMILESNCCCc1cccc(F)c1N1CCNCC1
InChIInChI=1S/C13H20FN3/c14-12-5-1-3-11(4-2-6-15)13(12)17-9-7-16-8-10-17/h1,3,5,16H,2,4,6-10,15H2
InChIKeyDXCWVYDWOVSPEJ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine?
The IUPAC name of 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine (CID 170868010) is 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine is NCCCc1cccc(F)c1N1CCNCC1.
What is the InChIKey of 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine?
The InChIKey is DXCWVYDWOVSPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c14-12-5-1-3-11(4-2-6-15)13(12)17-9-7-16-8-10-17/h1,3,5,16H,2,4,6-10,15H2.
What are the key properties of 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine?
3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine is sourced from PubChem (CID 170868010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).