5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine

C18H28N2O — CID 64840106

IUPAC5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine
SMILESCC1(C)CN(CC2CCCCO2)C(c2ccccc2)CN1
InChIInChI=1S/C18H28N2O/c1-18(2)14-20(13-16-10-6-7-11-21-16)17(12-19-18)15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,6-7,10-14H2,1-2H3
InChIKeyFXCVDMJBSWXOJG-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.98
Rot. Bonds3

About 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine

5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine (PubChem CID 64840106) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine
PubChem CID64840106
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine
SMILESCC1(C)CN(CC2CCCCO2)C(c2ccccc2)CN1
InChIInChI=1S/C18H28N2O/c1-18(2)14-20(13-16-10-6-7-11-21-16)17(12-19-18)15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,6-7,10-14H2,1-2H3
InChIKeyFXCVDMJBSWXOJG-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64840282
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840285
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64839744
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112
1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine
CID 64839742
5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64941970
2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 64947488
3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 43000639
3-(oxan-2-ylmethyl)-2-phenylimidazolidin-4-one
CID 83256657
1-cyclopentyl-5-ethyl-5-methyl-2-phenylpiperazine
CID 64932022

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine?
The IUPAC name of 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine (CID 64840106) is 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine.
What is the SMILES notation for 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine?
The canonical SMILES for 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine is CC1(C)CN(CC2CCCCO2)C(c2ccccc2)CN1.
What is the InChIKey of 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine?
The InChIKey is FXCVDMJBSWXOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2)14-20(13-16-10-6-7-11-21-16)17(12-19-18)15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,6-7,10-14H2,1-2H3.
What are the key properties of 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine?
5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine has a molecular weight of 288.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine is sourced from PubChem (CID 64840106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).