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

C26H48F2N4 — CID 174276167

IUPAC1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine
SMILESCCCC1(CN2CCC(F)(CN3CCN(CC4(F)CCN(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C26H48F2N4/c1-4-5-24(6-7-24)20-29-12-8-25(27,9-13-29)21-30-16-18-31(19-17-30)22-26(28)10-14-32(15-11-26)23(2)3/h23H,4-22H2,1-3H3
InChIKeyVGBFWUMMWZCXPP-UHFFFAOYSA-N
MW454.69 g/mol
LogP4.20
Rot. Bonds9

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

1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine (PubChem CID 174276167) has the molecular formula C26H48F2N4 and a molecular weight of 454.69 g/mol. Its IUPAC name is 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine
PubChem CID174276167
Molecular FormulaC26H48F2N4
Molecular Weight454.69 g/mol
Exact Mass454.38
IUPAC Name1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine
SMILESCCCC1(CN2CCC(F)(CN3CCN(CC4(F)CCN(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C26H48F2N4/c1-4-5-24(6-7-24)20-29-12-8-25(27,9-13-29)21-30-16-18-31(19-17-30)22-26(28)10-14-32(15-11-26)23(2)3/h23H,4-22H2,1-3H3
InChIKeyVGBFWUMMWZCXPP-UHFFFAOYSA-N
XLogP4.20
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.69
LogP ≤ 54.20
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-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine (CID 174276167) is 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine is CCCC1(CN2CCC(F)(CN3CCN(CC4(F)CCN(C(C)C)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine?
The InChIKey is VGBFWUMMWZCXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48F2N4/c1-4-5-24(6-7-24)20-29-12-8-25(27,9-13-29)21-30-16-18-31(19-17-30)22-26(28)10-14-32(15-11-26)23(2)3/h23H,4-22H2,1-3H3.
What are the key properties of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine?
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine has a molecular weight of 454.69 g/mol, XLogP of 4.20, 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-propan-2-ylpiperidin-4-yl)methyl]-4-[[4-fluoro-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 174276167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).