1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine

C18H35FN6 — CID 140544412

IUPAC1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3CNCCN3)CC2)CC1
InChIInChI=1S/C18H35FN6/c19-16-3-1-14(2-4-16)18-15(11-22-23-18)13-24-7-9-25(10-8-24)17-12-20-5-6-21-17/h14-18,20-23H,1-13H2
InChIKeyDICFPOZRTZLWBA-UHFFFAOYSA-N
MW354.52 g/mol
LogP-0.26
Rot. Bonds4

About 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine (PubChem CID 140544412) has the molecular formula C18H35FN6 and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine
PubChem CID140544412
Molecular FormulaC18H35FN6
Molecular Weight354.52 g/mol
Exact Mass354.29
IUPAC Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3CNCCN3)CC2)CC1
InChIInChI=1S/C18H35FN6/c19-16-3-1-14(2-4-16)18-15(11-22-23-18)13-24-7-9-25(10-8-24)17-12-20-5-6-21-17/h14-18,20-23H,1-13H2
InChIKeyDICFPOZRTZLWBA-UHFFFAOYSA-N
XLogP-0.26
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine?
The IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine (CID 140544412) is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine.
What is the SMILES notation for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine?
The canonical SMILES for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine is FC1CCC(C2NNCC2CN2CCN(C3CNCCN3)CC2)CC1.
What is the InChIKey of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine?
The InChIKey is DICFPOZRTZLWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN6/c19-16-3-1-14(2-4-16)18-15(11-22-23-18)13-24-7-9-25(10-8-24)17-12-20-5-6-21-17/h14-18,20-23H,1-13H2.
What are the key properties of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine?
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine has a molecular weight of 354.52 g/mol, XLogP of -0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperazin-2-ylpiperazine is sourced from PubChem (CID 140544412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).