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

C19H34F4N6 — CID 140544440

IUPAC1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3NCCC(C(F)(F)F)N3)CC2)CC1
InChIInChI=1S/C19H34F4N6/c20-15-3-1-13(2-4-15)17-14(11-25-27-17)12-28-7-9-29(10-8-28)18-24-6-5-16(26-18)19(21,22)23/h13-18,24-27H,1-12H2
InChIKeyLOLTUQFLDCGJMW-UHFFFAOYSA-N
MW422.52 g/mol
LogP1.02
Rot. Bonds4

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

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine (PubChem CID 140544440) has the molecular formula C19H34F4N6 and a molecular weight of 422.52 g/mol. Its IUPAC name is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine
PubChem CID140544440
Molecular FormulaC19H34F4N6
Molecular Weight422.52 g/mol
Exact Mass422.28
IUPAC Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3NCCC(C(F)(F)F)N3)CC2)CC1
InChIInChI=1S/C19H34F4N6/c20-15-3-1-13(2-4-15)17-14(11-25-27-17)12-28-7-9-29(10-8-28)18-24-6-5-16(26-18)19(21,22)23/h13-18,24-27H,1-12H2
InChIKeyLOLTUQFLDCGJMW-UHFFFAOYSA-N
XLogP1.02
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 51.02
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-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine?
The IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine (CID 140544440) is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine.
What is the SMILES notation for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine?
The canonical SMILES for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine is FC1CCC(C2NNCC2CN2CCN(C3NCCC(C(F)(F)F)N3)CC2)CC1.
What is the InChIKey of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine?
The InChIKey is LOLTUQFLDCGJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F4N6/c20-15-3-1-13(2-4-15)17-14(11-25-27-17)12-28-7-9-29(10-8-28)18-24-6-5-16(26-18)19(21,22)23/h13-18,24-27H,1-12H2.
What are the key properties of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine?
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine has a molecular weight of 422.52 g/mol, XLogP of 1.02, 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-[4-(trifluoromethyl)-1,3-diazinan-2-yl]piperazine is sourced from PubChem (CID 140544440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).