1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine

C18H28N2O2 — CID 138806981

IUPAC1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
SMILESCc1cccc(N2CCN(CCC3COCCO3)CC2)c1C
InChIInChI=1S/C18H28N2O2/c1-15-4-3-5-18(16(15)2)20-10-8-19(9-11-20)7-6-17-14-21-12-13-22-17/h3-5,17H,6-14H2,1-2H3
InChIKeyZCBQAVGQBIDRSZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.23
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine

1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine (PubChem CID 138806981) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
PubChem CID138806981
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
SMILESCc1cccc(N2CCN(CCC3COCCO3)CC2)c1C
InChIInChI=1S/C18H28N2O2/c1-15-4-3-5-18(16(15)2)20-10-8-19(9-11-20)7-6-17-14-21-12-13-22-17/h3-5,17H,6-14H2,1-2H3
InChIKeyZCBQAVGQBIDRSZ-UHFFFAOYSA-N
XLogP2.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 138809318
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 138806391
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine
CID 75430287
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
CID 61071831
1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine
CID 171691223
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine (CID 138806981) is 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine is Cc1cccc(N2CCN(CCC3COCCO3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine?
The InChIKey is ZCBQAVGQBIDRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-4-3-5-18(16(15)2)20-10-8-19(9-11-20)7-6-17-14-21-12-13-22-17/h3-5,17H,6-14H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine?
1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine has a molecular weight of 304.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine is sourced from PubChem (CID 138806981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).