1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine

C24H45FN4 — CID 174347907

IUPAC1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine
SMILESCC(C)CC1(CN2CCC(F)(CN3CCC(N4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C24H45FN4/c1-21(2)18-23(6-7-23)19-28-12-8-24(25,9-13-28)20-27-10-4-22(5-11-27)29-16-14-26(3)15-17-29/h21-22H,4-20H2,1-3H3
InChIKeyUJQAVJPBOZYSFG-UHFFFAOYSA-N
MW408.65 g/mol
LogP3.33
Rot. Bonds7

About 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine

1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine (PubChem CID 174347907) has the molecular formula C24H45FN4 and a molecular weight of 408.65 g/mol. Its IUPAC name is 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine
PubChem CID174347907
Molecular FormulaC24H45FN4
Molecular Weight408.65 g/mol
Exact Mass408.36
IUPAC Name1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine
SMILESCC(C)CC1(CN2CCC(F)(CN3CCC(N4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C24H45FN4/c1-21(2)18-23(6-7-23)19-28-12-8-24(25,9-13-28)20-27-10-4-22(5-11-27)29-16-14-26(3)15-17-29/h21-22H,4-20H2,1-3H3
InChIKeyUJQAVJPBOZYSFG-UHFFFAOYSA-N
XLogP3.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.65
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine (CID 174347907) is 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine is CC(C)CC1(CN2CCC(F)(CN3CCC(N4CCN(C)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine?
The InChIKey is UJQAVJPBOZYSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45FN4/c1-21(2)18-23(6-7-23)19-28-12-8-24(25,9-13-28)20-27-10-4-22(5-11-27)29-16-14-26(3)15-17-29/h21-22H,4-20H2,1-3H3.
What are the key properties of 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine?
1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine has a molecular weight of 408.65 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 174347907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).