1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine

C16H24FN3 — CID 114872144

IUPAC1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine
SMILESCCC(c1cccc(F)c1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C16H24FN3/c1-2-16(13-4-3-5-14(17)10-13)20-8-6-19(7-9-20)15-11-18-12-15/h3-5,10,15-16,18H,2,6-9,11-12H2,1H3
InChIKeyWTZNDYFXYCSMGP-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.87
Rot. Bonds4

About 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine

1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine (PubChem CID 114872144) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine
PubChem CID114872144
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine
SMILESCCC(c1cccc(F)c1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C16H24FN3/c1-2-16(13-4-3-5-14(17)10-13)20-8-6-19(7-9-20)15-11-18-12-15/h3-5,10,15-16,18H,2,6-9,11-12H2,1H3
InChIKeyWTZNDYFXYCSMGP-UHFFFAOYSA-N
XLogP1.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(3-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285907
1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride
CID 132990928
3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid
CID 114873048
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
CID 23080544
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
1-[(1R)-1-(4-bromo-3-fluorophenyl)propyl]piperazine
CID 171168921
2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine
CID 114872128

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine (CID 114872144) is 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine is CCC(c1cccc(F)c1)N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine?
The InChIKey is WTZNDYFXYCSMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-2-16(13-4-3-5-14(17)10-13)20-8-6-19(7-9-20)15-11-18-12-15/h3-5,10,15-16,18H,2,6-9,11-12H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine?
1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine has a molecular weight of 277.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 114872144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).