1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine

C17H26N2O — CID 83040309

IUPAC1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine
SMILESCC1(C)CC(N2CCNC(c3ccccc3)C2)CCO1
InChIInChI=1S/C17H26N2O/c1-17(2)12-15(8-11-20-17)19-10-9-18-16(13-19)14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3
InChIKeyCCCVSFKXQGFNPC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds2

About 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine

1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine (PubChem CID 83040309) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine
PubChem CID83040309
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine
SMILESCC1(C)CC(N2CCNC(c3ccccc3)C2)CCO1
InChIInChI=1S/C17H26N2O/c1-17(2)12-15(8-11-20-17)19-10-9-18-16(13-19)14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3
InChIKeyCCCVSFKXQGFNPC-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine (CID 83040309) is 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine is CC1(C)CC(N2CCNC(c3ccccc3)C2)CCO1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine?
The InChIKey is CCCVSFKXQGFNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)12-15(8-11-20-17)19-10-9-18-16(13-19)14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine?
1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine is sourced from PubChem (CID 83040309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).