3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine

C15H30N2O — CID 116524417

IUPAC3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
SMILESCC1(C)CCC(CN2CCNC(C(C)(C)C)C2)O1
InChIInChI=1S/C15H30N2O/c1-14(2,3)13-11-17(9-8-16-13)10-12-6-7-15(4,5)18-12/h12-13,16H,6-11H2,1-5H3
InChIKeyBOWJCHPXRCIDLH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds2

About 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine

3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine (PubChem CID 116524417) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
PubChem CID116524417
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
SMILESCC1(C)CCC(CN2CCNC(C(C)(C)C)C2)O1
InChIInChI=1S/C15H30N2O/c1-14(2,3)13-11-17(9-8-16-13)10-12-6-7-15(4,5)18-12/h12-13,16H,6-11H2,1-5H3
InChIKeyBOWJCHPXRCIDLH-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

1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
CID 116524415
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
CID 116524419
(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 104889620
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 64952160
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 116520991
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde
CID 116523854
3-tert-butyl-1-(2-methylpropyl)piperazine
CID 64833220

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine?
The IUPAC name of 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine (CID 116524417) is 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine.
What is the SMILES notation for 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine?
The canonical SMILES for 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine is CC1(C)CCC(CN2CCNC(C(C)(C)C)C2)O1.
What is the InChIKey of 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine?
The InChIKey is BOWJCHPXRCIDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)13-11-17(9-8-16-13)10-12-6-7-15(4,5)18-12/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine?
3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]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 3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine is sourced from PubChem (CID 116524417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).