1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine

C16H24N2O2 — CID 171691223

IUPAC1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(CC3COCCO3)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-14-3-2-4-15(11-14)18-7-5-17(6-8-18)12-16-13-19-9-10-20-16/h2-4,11,16H,5-10,12-13H2,1H3
InChIKeyFPIDQDZZKCTKIC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.53
Rot. Bonds3

About 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine

1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine (PubChem CID 171691223) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine
PubChem CID171691223
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(CC3COCCO3)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-14-3-2-4-15(11-14)18-7-5-17(6-8-18)12-16-13-19-9-10-20-16/h2-4,11,16H,5-10,12-13H2,1H3
InChIKeyFPIDQDZZKCTKIC-UHFFFAOYSA-N
XLogP1.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894883
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide
CID 86286611
3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine
CID 124846370
1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
2-(1,4-dioxan-2-ylmethyl)-1,3-dihydroisoindole
CID 166602231
N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine
CID 75517123
1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
CID 138806981
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-[(2R)-oxan-2-yl]ethyl]acetamide
CID 99974038
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
CID 86285043

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine (CID 171691223) is 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine is Cc1cccc(N2CCN(CC3COCCO3)CC2)c1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine?
The InChIKey is FPIDQDZZKCTKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14-3-2-4-15(11-14)18-7-5-17(6-8-18)12-16-13-19-9-10-20-16/h2-4,11,16H,5-10,12-13H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine?
1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine has a molecular weight of 276.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 171691223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).