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

C19H36FN5 — CID 140544428

IUPAC1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3CCCCN3)CC2)CC1
InChIInChI=1S/C19H36FN5/c20-17-6-4-15(5-7-17)19-16(13-22-23-19)14-24-9-11-25(12-10-24)18-3-1-2-8-21-18/h15-19,21-23H,1-14H2
InChIKeyIMVDUZJDNZMACO-UHFFFAOYSA-N
MW353.53 g/mol
LogP1.32
Rot. Bonds4

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

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine (PubChem CID 140544428) has the molecular formula C19H36FN5 and a molecular weight of 353.53 g/mol. Its IUPAC name is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine
PubChem CID140544428
Molecular FormulaC19H36FN5
Molecular Weight353.53 g/mol
Exact Mass353.30
IUPAC Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3CCCCN3)CC2)CC1
InChIInChI=1S/C19H36FN5/c20-17-6-4-15(5-7-17)19-16(13-22-23-19)14-24-9-11-25(12-10-24)18-3-1-2-8-21-18/h15-19,21-23H,1-14H2
InChIKeyIMVDUZJDNZMACO-UHFFFAOYSA-N
XLogP1.32
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 51.32
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-piperidin-2-ylpiperazine?
The IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine (CID 140544428) is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine.
What is the SMILES notation for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine?
The canonical SMILES for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine is FC1CCC(C2NNCC2CN2CCN(C3CCCCN3)CC2)CC1.
What is the InChIKey of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine?
The InChIKey is IMVDUZJDNZMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FN5/c20-17-6-4-15(5-7-17)19-16(13-22-23-19)14-24-9-11-25(12-10-24)18-3-1-2-8-21-18/h15-19,21-23H,1-14H2.
What are the key properties of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine?
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-piperidin-2-ylpiperazine has a molecular weight of 353.53 g/mol, XLogP of 1.32, 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-piperidin-2-ylpiperazine is sourced from PubChem (CID 140544428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).