2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine

C17H34N2O — CID 103141252

IUPAC2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
SMILESCC1CCC(CN2CC(C(C)C)NCC2C(C)(C)C)O1
InChIInChI=1S/C17H34N2O/c1-12(2)15-11-19(10-14-8-7-13(3)20-14)16(9-18-15)17(4,5)6/h12-16,18H,7-11H2,1-6H3
InChIKeyHCBBOLAVXKBZMO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds3

About 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine

2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine (PubChem CID 103141252) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
PubChem CID103141252
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
SMILESCC1CCC(CN2CC(C(C)C)NCC2C(C)(C)C)O1
InChIInChI=1S/C17H34N2O/c1-12(2)15-11-19(10-14-8-7-13(3)20-14)16(9-18-15)17(4,5)6/h12-16,18H,7-11H2,1-6H3
InChIKeyHCBBOLAVXKBZMO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine (CID 103141252) is 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine is CC1CCC(CN2CC(C(C)C)NCC2C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is HCBBOLAVXKBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)15-11-19(10-14-8-7-13(3)20-14)16(9-18-15)17(4,5)6/h12-16,18H,7-11H2,1-6H3.
What are the key properties of 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine?
2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 103141252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).