tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine

C19H25FN2O2 — CID 158716075

IUPACtert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine
SMILESCC(C)(C)OC=O.Fc1ccc2ccccc2c1N1CCNCC1
InChIInChI=1S/C14H15FN2.C5H10O2/c15-13-6-5-11-3-1-2-4-12(11)14(13)17-9-7-16-8-10-17;1-5(2,3)7-4-6/h1-6,16H,7-10H2;4H,1-3H3
InChIKeyIJICVAJJSVAFKE-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine

tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine (PubChem CID 158716075) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine.

Molecular Properties

Compound Nametert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine
PubChem CID158716075
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Nametert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine
SMILESCC(C)(C)OC=O.Fc1ccc2ccccc2c1N1CCNCC1
InChIInChI=1S/C14H15FN2.C5H10O2/c15-13-6-5-11-3-1-2-4-12(11)14(13)17-9-7-16-8-10-17;1-5(2,3)7-4-6/h1-6,16H,7-10H2;4H,1-3H3
InChIKeyIJICVAJJSVAFKE-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine?
The IUPAC name of tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine (CID 158716075) is tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine.
What is the SMILES notation for tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine?
The canonical SMILES for tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine is CC(C)(C)OC=O.Fc1ccc2ccccc2c1N1CCNCC1.
What is the InChIKey of tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine?
The InChIKey is IJICVAJJSVAFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2.C5H10O2/c15-13-6-5-11-3-1-2-4-12(11)14(13)17-9-7-16-8-10-17;1-5(2,3)7-4-6/h1-6,16H,7-10H2;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine?
tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine has a molecular weight of 332.42 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine is sourced from PubChem (CID 158716075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).