1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine

C22H41FN4 — CID 171748224

IUPAC1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CC(N3CC(F)(CN4CCN(C(C)C)CC4)C3)C2)CC1
InChIInChI=1S/C22H41FN4/c1-18(2)11-21(5-6-21)14-25-12-20(13-25)27-16-22(23,17-27)15-24-7-9-26(10-8-24)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyZBYONDBRDYFKNL-UHFFFAOYSA-N
MW380.60 g/mol
LogP2.55
Rot. Bonds8

About 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine

1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 171748224) has the molecular formula C22H41FN4 and a molecular weight of 380.60 g/mol. Its IUPAC name is 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID171748224
Molecular FormulaC22H41FN4
Molecular Weight380.60 g/mol
Exact Mass380.33
IUPAC Name1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CC(N3CC(F)(CN4CCN(C(C)C)CC4)C3)C2)CC1
InChIInChI=1S/C22H41FN4/c1-18(2)11-21(5-6-21)14-25-12-20(13-25)27-16-22(23,17-27)15-24-7-9-26(10-8-24)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyZBYONDBRDYFKNL-UHFFFAOYSA-N
XLogP2.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine (CID 171748224) is 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine is CC(C)CC1(CN2CC(N3CC(F)(CN4CCN(C(C)C)CC4)C3)C2)CC1.
What is the InChIKey of 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is ZBYONDBRDYFKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41FN4/c1-18(2)11-21(5-6-21)14-25-12-20(13-25)27-16-22(23,17-27)15-24-7-9-26(10-8-24)19(3)4/h18-20H,5-17H2,1-4H3.
What are the key properties of 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine?
1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 380.60 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171748224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).