2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate

C14H28N2O2 — CID 159012212

IUPAC2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11-18-12(17)15-7-9-16(10-8-15)14(4,5)6/h7-11H2,1-6H3
InChIKeyPWUYXWKIADDBPX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.59
Rot. Bonds1

About 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate

2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate (PubChem CID 159012212) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate
PubChem CID159012212
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11-18-12(17)15-7-9-16(10-8-15)14(4,5)6/h7-11H2,1-6H3
InChIKeyPWUYXWKIADDBPX-UHFFFAOYSA-N
XLogP2.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-tert-butyl-1,4-diazepane-1-carboxylate
CID 58311504
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate
CID 11544213
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 163569785
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 63680684
4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 90909249
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 50983601
2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate
CID 159801714
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430696
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate (CID 159012212) is 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate is CC(C)(C)COC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate?
The InChIKey is PWUYXWKIADDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)11-18-12(17)15-7-9-16(10-8-15)14(4,5)6/h7-11H2,1-6H3.
What are the key properties of 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate?
2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate is sourced from PubChem (CID 159012212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).