1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine

C18H37FN4 — CID 167004584

IUPAC1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine
SMILESCC(C)N1CCN(CCCC(C)N2CCN(CCF)CC2)CC1
InChIInChI=1S/C18H37FN4/c1-17(2)22-13-9-20(10-14-22)7-4-5-18(3)23-15-11-21(8-6-19)12-16-23/h17-18H,4-16H2,1-3H3
InChIKeyPVNOEBISGQBILG-UHFFFAOYSA-N
MW328.52 g/mol
LogP1.77
Rot. Bonds8

About 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine

1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine (PubChem CID 167004584) has the molecular formula C18H37FN4 and a molecular weight of 328.52 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine
PubChem CID167004584
Molecular FormulaC18H37FN4
Molecular Weight328.52 g/mol
Exact Mass328.30
IUPAC Name1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine
SMILESCC(C)N1CCN(CCCC(C)N2CCN(CCF)CC2)CC1
InChIInChI=1S/C18H37FN4/c1-17(2)22-13-9-20(10-14-22)7-4-5-18(3)23-15-11-21(8-6-19)12-16-23/h17-18H,4-16H2,1-3H3
InChIKeyPVNOEBISGQBILG-UHFFFAOYSA-N
XLogP1.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine?
The IUPAC name of 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine (CID 167004584) is 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine?
The canonical SMILES for 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine is CC(C)N1CCN(CCCC(C)N2CCN(CCF)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine?
The InChIKey is PVNOEBISGQBILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FN4/c1-17(2)22-13-9-20(10-14-22)7-4-5-18(3)23-15-11-21(8-6-19)12-16-23/h17-18H,4-16H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine?
1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine has a molecular weight of 328.52 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]piperazine is sourced from PubChem (CID 167004584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).