1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine

C18H35FN6 — CID 140544463

IUPAC1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3NCCCN3)CC2)CC1
InChIInChI=1S/C18H35FN6/c19-16-4-2-14(3-5-16)17-15(12-22-23-17)13-24-8-10-25(11-9-24)18-20-6-1-7-21-18/h14-18,20-23H,1-13H2
InChIKeyXRWOLNMYHDCNLP-UHFFFAOYSA-N
MW354.52 g/mol
LogP0.09
Rot. Bonds4

About 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine

1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine (PubChem CID 140544463) has the molecular formula C18H35FN6 and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
PubChem CID140544463
Molecular FormulaC18H35FN6
Molecular Weight354.52 g/mol
Exact Mass354.29
IUPAC Name1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3NCCCN3)CC2)CC1
InChIInChI=1S/C18H35FN6/c19-16-4-2-14(3-5-16)17-15(12-22-23-17)13-24-8-10-25(11-9-24)18-20-6-1-7-21-18/h14-18,20-23H,1-13H2
InChIKeyXRWOLNMYHDCNLP-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine?
The IUPAC name of 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine (CID 140544463) is 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine is FC1CCC(C2NNCC2CN2CCN(C3NCCCN3)CC2)CC1.
What is the InChIKey of 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine?
The InChIKey is XRWOLNMYHDCNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN6/c19-16-4-2-14(3-5-16)17-15(12-22-23-17)13-24-8-10-25(11-9-24)18-20-6-1-7-21-18/h14-18,20-23H,1-13H2.
What are the key properties of 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine?
1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine has a molecular weight of 354.52 g/mol, XLogP of 0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diazinan-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine is sourced from PubChem (CID 140544463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).