1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine

C24H45FN4 — CID 171748253

IUPAC1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CCC(N3CC(F)(CN4CCN(C(C)C)CC4)C3)CC2)CC1
InChIInChI=1S/C24H45FN4/c1-20(2)15-23(7-8-23)16-26-9-5-22(6-10-26)29-18-24(25,19-29)17-27-11-13-28(14-12-27)21(3)4/h20-22H,5-19H2,1-4H3
InChIKeyFJUXHPAESCWMQP-UHFFFAOYSA-N
MW408.65 g/mol
LogP3.33
Rot. Bonds8

About 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine

1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 171748253) has the molecular formula C24H45FN4 and a molecular weight of 408.65 g/mol. Its IUPAC name is 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID171748253
Molecular FormulaC24H45FN4
Molecular Weight408.65 g/mol
Exact Mass408.36
IUPAC Name1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CCC(N3CC(F)(CN4CCN(C(C)C)CC4)C3)CC2)CC1
InChIInChI=1S/C24H45FN4/c1-20(2)15-23(7-8-23)16-26-9-5-22(6-10-26)29-18-24(25,19-29)17-27-11-13-28(14-12-27)21(3)4/h20-22H,5-19H2,1-4H3
InChIKeyFJUXHPAESCWMQP-UHFFFAOYSA-N
XLogP3.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine (CID 171748253) is 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine is CC(C)CC1(CN2CCC(N3CC(F)(CN4CCN(C(C)C)CC4)C3)CC2)CC1.
What is the InChIKey of 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is FJUXHPAESCWMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45FN4/c1-20(2)15-23(7-8-23)16-26-9-5-22(6-10-26)29-18-24(25,19-29)17-27-11-13-28(14-12-27)21(3)4/h20-22H,5-19H2,1-4H3.
What are the key properties of 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine?
1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 408.65 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171748253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).