1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine

C17H26N2O — CID 81141956

IUPAC1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine
SMILESCC1(C)CC(N2CCNCC2(C)C)c2ccccc2O1
InChIInChI=1S/C17H26N2O/c1-16(2)12-18-9-10-19(16)14-11-17(3,4)20-15-8-6-5-7-13(14)15/h5-8,14,18H,9-12H2,1-4H3
InChIKeyVZQXKLXRPIYABA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds1

About 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine

1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine (PubChem CID 81141956) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine
PubChem CID81141956
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine
SMILESCC1(C)CC(N2CCNCC2(C)C)c2ccccc2O1
InChIInChI=1S/C17H26N2O/c1-16(2)12-18-9-10-19(16)14-11-17(3,4)20-15-8-6-5-7-13(14)15/h5-8,14,18H,9-12H2,1-4H3
InChIKeyVZQXKLXRPIYABA-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine (CID 81141956) is 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine is CC1(C)CC(N2CCNCC2(C)C)c2ccccc2O1.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine?
The InChIKey is VZQXKLXRPIYABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2)12-18-9-10-19(16)14-11-17(3,4)20-15-8-6-5-7-13(14)15/h5-8,14,18H,9-12H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine?
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine is sourced from PubChem (CID 81141956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).