1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine

C14H27FN2O — CID 129179108

IUPAC1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine
SMILESCC(C)(C)N1CCN(CC2(F)CCOCC2)CC1
InChIInChI=1S/C14H27FN2O/c1-13(2,3)17-8-6-16(7-9-17)12-14(15)4-10-18-11-5-14/h4-12H2,1-3H3
InChIKeyFGTJSNZTVOWCQG-UHFFFAOYSA-N
MW258.38 g/mol
LogP1.92
Rot. Bonds2

About 1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine

1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine (PubChem CID 129179108) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine
PubChem CID129179108
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC Name1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine
SMILESCC(C)(C)N1CCN(CC2(F)CCOCC2)CC1
InChIInChI=1S/C14H27FN2O/c1-13(2,3)17-8-6-16(7-9-17)12-14(15)4-10-18-11-5-14/h4-12H2,1-3H3
InChIKeyFGTJSNZTVOWCQG-UHFFFAOYSA-N
XLogP1.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 51.92
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-fluorooxan-4-yl)methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine (CID 129179108) is 1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine is CC(C)(C)N1CCN(CC2(F)CCOCC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine?
The InChIKey is FGTJSNZTVOWCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-13(2,3)17-8-6-16(7-9-17)12-14(15)4-10-18-11-5-14/h4-12H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine?
1-tert-butyl-4-[(4-fluorooxan-4-yl)methyl]piperazine has a molecular weight of 258.38 g/mol, XLogP of 1.92, 2 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-fluorooxan-4-yl)methyl]piperazine is sourced from PubChem (CID 129179108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).