(4-fluorophenyl)-piperazin-1-ylmethanamine

C11H16FN3 — CID 116939727

IUPAC(4-fluorophenyl)-piperazin-1-ylmethanamine
SMILESNC(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C11H16FN3/c12-10-3-1-9(2-4-10)11(13)15-7-5-14-6-8-15/h1-4,11,14H,5-8,13H2
InChIKeyGDEVYRLBDBNJDE-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.69
Rot. Bonds2

About (4-fluorophenyl)-piperazin-1-ylmethanamine

(4-fluorophenyl)-piperazin-1-ylmethanamine (PubChem CID 116939727) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is (4-fluorophenyl)-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-piperazin-1-ylmethanamine
PubChem CID116939727
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name(4-fluorophenyl)-piperazin-1-ylmethanamine
SMILESNC(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C11H16FN3/c12-10-3-1-9(2-4-10)11(13)15-7-5-14-6-8-15/h1-4,11,14H,5-8,13H2
InChIKeyGDEVYRLBDBNJDE-UHFFFAOYSA-N
XLogP0.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
CID 116939801
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
piperazin-1-yl(1H-pyrrol-3-yl)methanamine
CID 116939780
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
CID 116939742
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-piperazin-1-ylmethanamine?
The IUPAC name of (4-fluorophenyl)-piperazin-1-ylmethanamine (CID 116939727) is (4-fluorophenyl)-piperazin-1-ylmethanamine.
What is the SMILES notation for (4-fluorophenyl)-piperazin-1-ylmethanamine?
The canonical SMILES for (4-fluorophenyl)-piperazin-1-ylmethanamine is NC(c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of (4-fluorophenyl)-piperazin-1-ylmethanamine?
The InChIKey is GDEVYRLBDBNJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c12-10-3-1-9(2-4-10)11(13)15-7-5-14-6-8-15/h1-4,11,14H,5-8,13H2.
What are the key properties of (4-fluorophenyl)-piperazin-1-ylmethanamine?
(4-fluorophenyl)-piperazin-1-ylmethanamine has a molecular weight of 209.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-piperazin-1-ylmethanamine is sourced from PubChem (CID 116939727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).