tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane

C17H36N2O2 — CID 143188940

IUPACtert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2.C2H6/c1-14(2,3)7-8-16-9-11-17(12-10-16)13(18)19-15(4,5)6;1-2/h7-12H2,1-6H3;1-2H3
InChIKeyBGEZMWQLMDSGAY-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.00
Rot. Bonds2

About tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane

tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane (PubChem CID 143188940) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
PubChem CID143188940
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Nametert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2.C2H6/c1-14(2,3)7-8-16-9-11-17(12-10-16)13(18)19-15(4,5)6;1-2/h7-12H2,1-6H3;1-2H3
InChIKeyBGEZMWQLMDSGAY-UHFFFAOYSA-N
XLogP4.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
tert-butyl 4-(2-bromoethyl)-1,4-diazepane-1-carboxylate
CID 114293385
tert-butyl 4-(2-methylsulfonylethyl)piperazine-1-carboxylate
CID 66649624
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propane-1-sulfinic acid
CID 58575809
tert-butyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperazine-1-carboxylate
CID 178069200
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate;oxalic acid
CID 134129754
tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
CID 107243537
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane (CID 143188940) is tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane is CC.CC(C)(C)CCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane?
The InChIKey is BGEZMWQLMDSGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.C2H6/c1-14(2,3)7-8-16-9-11-17(12-10-16)13(18)19-15(4,5)6;1-2/h7-12H2,1-6H3;1-2H3.
What are the key properties of tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane?
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane has a molecular weight of 300.49 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane is sourced from PubChem (CID 143188940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).