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

C27H50F2N4 — CID 171748309

IUPAC1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)CC1(CN2CCC(F)(CN3CCN(CC4(F)CCN(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C27H50F2N4/c1-23(2)19-25(5-6-25)20-30-11-7-26(28,8-12-30)21-31-15-17-32(18-16-31)22-27(29)9-13-33(14-10-27)24(3)4/h23-24H,5-22H2,1-4H3
InChIKeyQJOZBDXUGXAHTQ-UHFFFAOYSA-N
MW468.72 g/mol
LogP4.45
Rot. Bonds9

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

1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 171748309) has the molecular formula C27H50F2N4 and a molecular weight of 468.72 g/mol. Its IUPAC name is 1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID171748309
Molecular FormulaC27H50F2N4
Molecular Weight468.72 g/mol
Exact Mass468.40
IUPAC Name1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)CC1(CN2CCC(F)(CN3CCN(CC4(F)CCN(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C27H50F2N4/c1-23(2)19-25(5-6-25)20-30-11-7-26(28,8-12-30)21-31-15-17-32(18-16-31)22-27(29)9-13-33(14-10-27)24(3)4/h23-24H,5-22H2,1-4H3
InChIKeyQJOZBDXUGXAHTQ-UHFFFAOYSA-N
XLogP4.45
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.72
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 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) is 1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC(C)CC1(CN2CCC(F)(CN3CCN(CC4(F)CCN(C(C)C)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is QJOZBDXUGXAHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50F2N4/c1-23(2)19-25(5-6-25)20-30-11-7-26(28,8-12-30)21-31-15-17-32(18-16-31)22-27(29)9-13-33(14-10-27)24(3)4/h23-24H,5-22H2,1-4H3.
What are the key properties of 1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 468.72 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 171748309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).