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

C20H35F4N5 — CID 140544468

IUPAC1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3NCCCC3C(F)(F)F)CC2)CC1
InChIInChI=1S/C20H35F4N5/c21-16-5-3-14(4-6-16)18-15(12-26-27-18)13-28-8-10-29(11-9-28)19-17(20(22,23)24)2-1-7-25-19/h14-19,25-27H,1-13H2
InChIKeyKZAONSGFMPIUGS-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.11
Rot. Bonds4

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

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine (PubChem CID 140544468) has the molecular formula C20H35F4N5 and a molecular weight of 421.53 g/mol. Its IUPAC name is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine
PubChem CID140544468
Molecular FormulaC20H35F4N5
Molecular Weight421.53 g/mol
Exact Mass421.28
IUPAC Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3NCCCC3C(F)(F)F)CC2)CC1
InChIInChI=1S/C20H35F4N5/c21-16-5-3-14(4-6-16)18-15(12-26-27-18)13-28-8-10-29(11-9-28)19-17(20(22,23)24)2-1-7-25-19/h14-19,25-27H,1-13H2
InChIKeyKZAONSGFMPIUGS-UHFFFAOYSA-N
XLogP2.11
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine?
The IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine (CID 140544468) is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine.
What is the SMILES notation for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine?
The canonical SMILES for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine is FC1CCC(C2NNCC2CN2CCN(C3NCCCC3C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine?
The InChIKey is KZAONSGFMPIUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F4N5/c21-16-5-3-14(4-6-16)18-15(12-26-27-18)13-28-8-10-29(11-9-28)19-17(20(22,23)24)2-1-7-25-19/h14-19,25-27H,1-13H2.
What are the key properties of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine?
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine has a molecular weight of 421.53 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-[3-(trifluoromethyl)piperidin-2-yl]piperazine is sourced from PubChem (CID 140544468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).