tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate

C11H21FN2O2 — CID 83853732

IUPACtert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate
SMILESCC(F)C1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C11H21FN2O2/c1-8(12)9-7-14(6-5-13-9)10(15)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyDBSDYRQCQDDJCR-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.55
Rot. Bonds1

About tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate

tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate (PubChem CID 83853732) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate
PubChem CID83853732
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate
SMILESCC(F)C1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C11H21FN2O2/c1-8(12)9-7-14(6-5-13-9)10(15)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyDBSDYRQCQDDJCR-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
CID 150651701
tert-butyl (3R)-3-propan-2-yl-1,4-diazocane-1-carboxylate
CID 131227852
trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate
CID 175653965
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072245
tert-butyl 3-tert-butylpiperazine-1-carboxylate;hydrochloride
CID 57355298
tert-butyl 3-formyloxypiperazine-1-carboxylate
CID 129303164
tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen
CID 176939375
tert-butyl (3S)-3-ethynylpiperazine-1-carboxylate
CID 154550884
tert-butyl (3S)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911213
tert-butyl (3R)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911212
tert-butyl (3R)-3-prop-2-enoylpiperazine-1-carboxylate
CID 66656818

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate (CID 83853732) is tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate is CC(F)C1CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate?
The InChIKey is DBSDYRQCQDDJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-8(12)9-7-14(6-5-13-9)10(15)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate?
tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate is sourced from PubChem (CID 83853732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).