1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine

C24H48FN3 — CID 156719610

IUPAC1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine
SMILESCC(C)CC(C)(C)N1CCC(F)(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C24H48FN3/c1-20(2)18-22(5,6)27-12-10-24(25,11-13-27)21(3,4)19-23(7,8)28-16-14-26(9)15-17-28/h20H,10-19H2,1-9H3
InChIKeyNCFJJWBGCQTKPH-UHFFFAOYSA-N
MW397.67 g/mol
LogP5.06
Rot. Bonds7

About 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine

1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine (PubChem CID 156719610) has the molecular formula C24H48FN3 and a molecular weight of 397.67 g/mol. Its IUPAC name is 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine
PubChem CID156719610
Molecular FormulaC24H48FN3
Molecular Weight397.67 g/mol
Exact Mass397.38
IUPAC Name1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine
SMILESCC(C)CC(C)(C)N1CCC(F)(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C24H48FN3/c1-20(2)18-22(5,6)27-12-10-24(25,11-13-27)21(3,4)19-23(7,8)28-16-14-26(9)15-17-28/h20H,10-19H2,1-9H3
InChIKeyNCFJJWBGCQTKPH-UHFFFAOYSA-N
XLogP5.06
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.67
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine (CID 156719610) is 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine is CC(C)CC(C)(C)N1CCC(F)(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine?
The InChIKey is NCFJJWBGCQTKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48FN3/c1-20(2)18-22(5,6)27-12-10-24(25,11-13-27)21(3,4)19-23(7,8)28-16-14-26(9)15-17-28/h20H,10-19H2,1-9H3.
What are the key properties of 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine?
1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine has a molecular weight of 397.67 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,4-dimethylpentan-2-yl)-4-fluoropiperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 156719610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).