2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine

C15H30N2O — CID 64839542

IUPAC2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
SMILESCC1(C)CN(CC2CCCO2)C(C(C)(C)C)CN1
InChIInChI=1S/C15H30N2O/c1-14(2,3)13-9-16-15(4,5)11-17(13)10-12-7-6-8-18-12/h12-13,16H,6-11H2,1-5H3
InChIKeyHOACDJQYPORILB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds2

About 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine

2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine (PubChem CID 64839542) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
PubChem CID64839542
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
SMILESCC1(C)CN(CC2CCCO2)C(C(C)(C)C)CN1
InChIInChI=1S/C15H30N2O/c1-14(2,3)13-9-16-15(4,5)11-17(13)10-12-7-6-8-18-12/h12-13,16H,6-11H2,1-5H3
InChIKeyHOACDJQYPORILB-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170537
2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 64947488
5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine
CID 64840106
3,3-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64834436
5,5-dimethyl-2-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170378
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64839737
5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
CID 64841812
5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
CID 64847284
8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 103141462
1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
CID 64839732
2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine
CID 82936936
8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877579

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine (CID 64839542) is 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine is CC1(C)CN(CC2CCCO2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine?
The InChIKey is HOACDJQYPORILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)13-9-16-15(4,5)11-17(13)10-12-7-6-8-18-12/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine?
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 64839542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).