1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine

C20H38FN5 — CID 140544418

IUPAC1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine
SMILESCC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1
InChIInChI=1S/C20H38FN5/c1-15-2-7-19(22-12-15)26-10-8-25(9-11-26)14-17-13-23-24-20(17)16-3-5-18(21)6-4-16/h15-20,22-24H,2-14H2,1H3
InChIKeyFNORLCNLXKJUGA-UHFFFAOYSA-N
MW367.56 g/mol
LogP1.57
Rot. Bonds4

About 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine (PubChem CID 140544418) has the molecular formula C20H38FN5 and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine
PubChem CID140544418
Molecular FormulaC20H38FN5
Molecular Weight367.56 g/mol
Exact Mass367.31
IUPAC Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine
SMILESCC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1
InChIInChI=1S/C20H38FN5/c1-15-2-7-19(22-12-15)26-10-8-25(9-11-26)14-17-13-23-24-20(17)16-3-5-18(21)6-4-16/h15-20,22-24H,2-14H2,1H3
InChIKeyFNORLCNLXKJUGA-UHFFFAOYSA-N
XLogP1.57
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 51.57
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-(5-methylpiperidin-2-yl)piperazine?
The IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine (CID 140544418) is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine.
What is the SMILES notation for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine?
The canonical SMILES for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine is CC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1.
What is the InChIKey of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine?
The InChIKey is FNORLCNLXKJUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN5/c1-15-2-7-19(22-12-15)26-10-8-25(9-11-26)14-17-13-23-24-20(17)16-3-5-18(21)6-4-16/h15-20,22-24H,2-14H2,1H3.
What are the key properties of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine?
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-methylpiperidin-2-yl)piperazine has a molecular weight of 367.56 g/mol, XLogP of 1.57, 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-(5-methylpiperidin-2-yl)piperazine is sourced from PubChem (CID 140544418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).