2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine

C22H43FN6 — CID 170006948

IUPAC2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine
SMILESCN1CCC(N2CCN(C)CC2C2CN(C3CCN(C)CC3F)CCN2C)CC1
InChIInChI=1S/C22H43FN6/c1-24-8-5-18(6-9-24)29-14-11-26(3)16-22(29)21-17-28(13-12-27(21)4)20-7-10-25(2)15-19(20)23/h18-22H,5-17H2,1-4H3
InChIKeyDUIHNWWTBKUCPM-UHFFFAOYSA-N
MW410.63 g/mol
LogP0.35
Rot. Bonds3

About 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine

2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine (PubChem CID 170006948) has the molecular formula C22H43FN6 and a molecular weight of 410.63 g/mol. Its IUPAC name is 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine
PubChem CID170006948
Molecular FormulaC22H43FN6
Molecular Weight410.63 g/mol
Exact Mass410.35
IUPAC Name2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine
SMILESCN1CCC(N2CCN(C)CC2C2CN(C3CCN(C)CC3F)CCN2C)CC1
InChIInChI=1S/C22H43FN6/c1-24-8-5-18(6-9-24)29-14-11-26(3)16-22(29)21-17-28(13-12-27(21)4)20-7-10-25(2)15-19(20)23/h18-22H,5-17H2,1-4H3
InChIKeyDUIHNWWTBKUCPM-UHFFFAOYSA-N
XLogP0.35
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine (CID 170006948) is 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine is CN1CCC(N2CCN(C)CC2C2CN(C3CCN(C)CC3F)CCN2C)CC1.
What is the InChIKey of 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is DUIHNWWTBKUCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43FN6/c1-24-8-5-18(6-9-24)29-14-11-26(3)16-22(29)21-17-28(13-12-27(21)4)20-7-10-25(2)15-19(20)23/h18-22H,5-17H2,1-4H3.
What are the key properties of 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine?
2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 410.63 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 170006948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).