2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine

C15H28N2O — CID 114267410

IUPAC2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CC3CCC2O3)C(C)CN1
InChIInChI=1S/C15H28N2O/c1-10(2)14-9-17(11(3)7-16-14)8-12-6-13-4-5-15(12)18-13/h10-16H,4-9H2,1-3H3
InChIKeySCWBMHSERHPYCL-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine

2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine (PubChem CID 114267410) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine
PubChem CID114267410
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CC3CCC2O3)C(C)CN1
InChIInChI=1S/C15H28N2O/c1-10(2)14-9-17(11(3)7-16-14)8-12-6-13-4-5-15(12)18-13/h10-16H,4-9H2,1-3H3
InChIKeySCWBMHSERHPYCL-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine (CID 114267410) is 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine is CC(C)C1CN(CC2CC3CCC2O3)C(C)CN1.
What is the InChIKey of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine?
The InChIKey is SCWBMHSERHPYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10(2)14-9-17(11(3)7-16-14)8-12-6-13-4-5-15(12)18-13/h10-16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine?
2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine has a molecular weight of 252.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 114267410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).