1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine

C18H36FN3 — CID 153484479

IUPAC1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)CN1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36FN3/c1-16(2)14-20-8-6-18(19,7-9-20)15-21-10-12-22(13-11-21)17(3,4)5/h16H,6-15H2,1-5H3
InChIKeyWICYKWZIXWORNV-UHFFFAOYSA-N
MW313.50 g/mol
LogP2.86
Rot. Bonds4

About 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine

1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine (PubChem CID 153484479) has the molecular formula C18H36FN3 and a molecular weight of 313.50 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
PubChem CID153484479
Molecular FormulaC18H36FN3
Molecular Weight313.50 g/mol
Exact Mass313.29
IUPAC Name1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)CN1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36FN3/c1-16(2)14-20-8-6-18(19,7-9-20)15-21-10-12-22(13-11-21)17(3,4)5/h16H,6-15H2,1-5H3
InChIKeyWICYKWZIXWORNV-UHFFFAOYSA-N
XLogP2.86
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine (CID 153484479) is 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine is CC(C)CN1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is WICYKWZIXWORNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36FN3/c1-16(2)14-20-8-6-18(19,7-9-20)15-21-10-12-22(13-11-21)17(3,4)5/h16H,6-15H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 313.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 153484479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).