tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane

C14H30N2O2 — CID 161367043

IUPACtert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
SMILESC.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2.CH4/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;/h7-10H2,1-6H3;1H4
InChIKeyVPYHFTRCXVVOKX-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.97
Rot. Bonds

About tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane

tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane (PubChem CID 161367043) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane.

Molecular Properties

Compound Nametert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
PubChem CID161367043
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
SMILESC.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2.CH4/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;/h7-10H2,1-6H3;1H4
InChIKeyVPYHFTRCXVVOKX-UHFFFAOYSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
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tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
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tert-butyl azacyclopentadecane-1-carboxylate
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tert-butyl 4-ethanethioylpiperazine-1-carboxylate
CID 175151443
tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
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tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane?
The IUPAC name of tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane (CID 161367043) is tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane.
What is the SMILES notation for tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane?
The canonical SMILES for tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane is C.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane?
The InChIKey is VPYHFTRCXVVOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.CH4/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;/h7-10H2,1-6H3;1H4.
What are the key properties of tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane?
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane has a molecular weight of 258.41 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane is sourced from PubChem (CID 161367043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).