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

C18H34F2N4 — CID 175622912

IUPAC1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCN(C3CCNCC3F)CC2F)CC1
InChIInChI=1S/C18H34F2N4/c1-14(2)23-9-7-22(8-10-23)12-15-4-6-24(13-17(15)20)18-3-5-21-11-16(18)19/h14-18,21H,3-13H2,1-2H3
InChIKeyUPLVHZQTMUWJDL-UHFFFAOYSA-N
MW344.49 g/mol
LogP1.37
Rot. Bonds4

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

1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 175622912) has the molecular formula C18H34F2N4 and a molecular weight of 344.49 g/mol. Its IUPAC name is 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID175622912
Molecular FormulaC18H34F2N4
Molecular Weight344.49 g/mol
Exact Mass344.28
IUPAC Name1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCN(C3CCNCC3F)CC2F)CC1
InChIInChI=1S/C18H34F2N4/c1-14(2)23-9-7-22(8-10-23)12-15-4-6-24(13-17(15)20)18-3-5-21-11-16(18)19/h14-18,21H,3-13H2,1-2H3
InChIKeyUPLVHZQTMUWJDL-UHFFFAOYSA-N
XLogP1.37
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (CID 175622912) is 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2CCN(C3CCNCC3F)CC2F)CC1.
What is the InChIKey of 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is UPLVHZQTMUWJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N4/c1-14(2)23-9-7-22(8-10-23)12-15-4-6-24(13-17(15)20)18-3-5-21-11-16(18)19/h14-18,21H,3-13H2,1-2H3.
What are the key properties of 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 344.49 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 175622912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).