1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine

C19H36F2N4 — CID 177072569

IUPAC1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)(C)N1CCN(CC2CCN(C3CCNCC3F)CC2F)CC1
InChIInChI=1S/C19H36F2N4/c1-19(2,3)25-10-8-23(9-11-25)13-15-5-7-24(14-17(15)21)18-4-6-22-12-16(18)20/h15-18,22H,4-14H2,1-3H3
InChIKeyLWTTWCTWYQBZLM-UHFFFAOYSA-N
MW358.52 g/mol
LogP1.76
Rot. Bonds3

About 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine

1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine (PubChem CID 177072569) has the molecular formula C19H36F2N4 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine
PubChem CID177072569
Molecular FormulaC19H36F2N4
Molecular Weight358.52 g/mol
Exact Mass358.29
IUPAC Name1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)(C)N1CCN(CC2CCN(C3CCNCC3F)CC2F)CC1
InChIInChI=1S/C19H36F2N4/c1-19(2,3)25-10-8-23(9-11-25)13-15-5-7-24(14-17(15)21)18-4-6-22-12-16(18)20/h15-18,22H,4-14H2,1-3H3
InChIKeyLWTTWCTWYQBZLM-UHFFFAOYSA-N
XLogP1.76
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine (CID 177072569) is 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine is CC(C)(C)N1CCN(CC2CCN(C3CCNCC3F)CC2F)CC1.
What is the InChIKey of 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine?
The InChIKey is LWTTWCTWYQBZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F2N4/c1-19(2,3)25-10-8-23(9-11-25)13-15-5-7-24(14-17(15)21)18-4-6-22-12-16(18)20/h15-18,22H,4-14H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine?
1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine has a molecular weight of 358.52 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[3-fluoro-1-(3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 177072569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).