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

C26H49FN4 — CID 171748519

IUPAC1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CCC(F)(CN3CCC(N4CCN(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C26H49FN4/c1-22(2)19-25(7-8-25)20-29-13-9-26(27,10-14-29)21-28-11-5-24(6-12-28)31-17-15-30(16-18-31)23(3)4/h22-24H,5-21H2,1-4H3
InChIKeyQCSNIKGHIXFHNU-UHFFFAOYSA-N
MW436.70 g/mol
LogP4.11
Rot. Bonds8

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

1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 171748519) has the molecular formula C26H49FN4 and a molecular weight of 436.70 g/mol. Its IUPAC name is 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID171748519
Molecular FormulaC26H49FN4
Molecular Weight436.70 g/mol
Exact Mass436.39
IUPAC Name1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CCC(F)(CN3CCC(N4CCN(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C26H49FN4/c1-22(2)19-25(7-8-25)20-29-13-9-26(27,10-14-29)21-28-11-5-24(6-12-28)31-17-15-30(16-18-31)23(3)4/h22-24H,5-21H2,1-4H3
InChIKeyQCSNIKGHIXFHNU-UHFFFAOYSA-N
XLogP4.11
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.70
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

3-[(1-Fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane
CID 170003469
3-[(1-Fluorocyclopropyl)methyl]-9-methyl-11-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane
CID 170015859
2-Fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656973
2-[(4-Butan-2-ylpiperazin-1-yl)methyl]-2-fluoro-7-[[1-(2-methylbutyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
CID 171658115
1-[3,3-Difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171723127
1-[[3-Fluoro-1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
CID 171748213
1-[[3-Fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
CID 171748253
6-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 171748282
1-[3,3-Difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171748293
2-Fluoro-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-7-azaspiro[3.5]nonane
CID 171748307
1-[[4-Fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 171748309
2-Fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 171748316

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-propan-2-ylpiperazine?
The IUPAC name of 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine (CID 171748519) is 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine is CC(C)CC1(CN2CCC(F)(CN3CCC(N4CCN(C(C)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-propan-2-ylpiperazine?
The InChIKey is QCSNIKGHIXFHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49FN4/c1-22(2)19-25(7-8-25)20-29-13-9-26(27,10-14-29)21-28-11-5-24(6-12-28)31-17-15-30(16-18-31)23(3)4/h22-24H,5-21H2,1-4H3.
What are the key properties of 1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
1-[1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 436.70 g/mol, XLogP of 4.11, 8 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-propan-2-ylpiperazine is sourced from PubChem (CID 171748519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).