1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine

C16H24FN3 — CID 116679480

IUPAC1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESCC(CN1CCN(c2ccccc2F)CC1)C1CNC1
InChIInChI=1S/C16H24FN3/c1-13(14-10-18-11-14)12-19-6-8-20(9-7-19)16-5-3-2-4-15(16)17/h2-5,13-14,18H,6-12H2,1H3
InChIKeyRERKITPWIIZNCI-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine

1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine (PubChem CID 116679480) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
PubChem CID116679480
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESCC(CN1CCN(c2ccccc2F)CC1)C1CNC1
InChIInChI=1S/C16H24FN3/c1-13(14-10-18-11-14)12-19-6-8-20(9-7-19)16-5-3-2-4-15(16)17/h2-5,13-14,18H,6-12H2,1H3
InChIKeyRERKITPWIIZNCI-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
CID 63570573
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine (CID 116679480) is 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine is CC(CN1CCN(c2ccccc2F)CC1)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is RERKITPWIIZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-13(14-10-18-11-14)12-19-6-8-20(9-7-19)16-5-3-2-4-15(16)17/h2-5,13-14,18H,6-12H2,1H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine?
1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 277.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 116679480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).