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

C22H43FN4 — CID 175622915

IUPAC1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CN1CCC(N2CCC(CN3CCN(C(C)C)CC3)C(F)C2)CC1
InChIInChI=1S/C22H43FN4/c1-18(2)15-24-8-6-21(7-9-24)27-10-5-20(22(23)17-27)16-25-11-13-26(14-12-25)19(3)4/h18-22H,5-17H2,1-4H3
InChIKeyXQRHTYOVBWCMBZ-UHFFFAOYSA-N
MW382.61 g/mol
LogP2.79
Rot. Bonds6

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

1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 175622915) has the molecular formula C22H43FN4 and a molecular weight of 382.61 g/mol. Its IUPAC name is 1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID175622915
Molecular FormulaC22H43FN4
Molecular Weight382.61 g/mol
Exact Mass382.35
IUPAC Name1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CN1CCC(N2CCC(CN3CCN(C(C)C)CC3)C(F)C2)CC1
InChIInChI=1S/C22H43FN4/c1-18(2)15-24-8-6-21(7-9-24)27-10-5-20(22(23)17-27)16-25-11-13-26(14-12-25)19(3)4/h18-22H,5-17H2,1-4H3
InChIKeyXQRHTYOVBWCMBZ-UHFFFAOYSA-N
XLogP2.79
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 52.79
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-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (CID 175622915) is 1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is CC(C)CN1CCC(N2CCC(CN3CCN(C(C)C)CC3)C(F)C2)CC1.
What is the InChIKey of 1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is XQRHTYOVBWCMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43FN4/c1-18(2)15-24-8-6-21(7-9-24)27-10-5-20(22(23)17-27)16-25-11-13-26(14-12-25)19(3)4/h18-22H,5-17H2,1-4H3.
What are the key properties of 1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
1-[[3-fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 382.61 g/mol, XLogP of 2.79, 6 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-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 175622915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).