3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine

C16H26N4O2 — CID 138810440

IUPAC3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(CCC3COCCO3)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-13-11-17-14(2)16(18-13)20-7-5-19(6-8-20)4-3-15-12-21-9-10-22-15/h11,15H,3-10,12H2,1-2H3
InChIKeyLZMVLLWKENYNAJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.02
Rot. Bonds4

About 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine

3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine (PubChem CID 138810440) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine
PubChem CID138810440
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(CCC3COCCO3)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-13-11-17-14(2)16(18-13)20-7-5-19(6-8-20)4-3-15-12-21-9-10-22-15/h11,15H,3-10,12H2,1-2H3
InChIKeyLZMVLLWKENYNAJ-UHFFFAOYSA-N
XLogP1.02
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-2,5-dimethylpyrazine
CID 124296139
3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 129616387
2-[4-(1-Propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine
CID 58747946
2-[4-(1-Cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine
CID 58747986
2-[4-(1-Propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
CID 69355686
3-[4-[3-(Dimethylamino)propoxy]piperidin-1-yl]pyrazine-2-carbonitrile
CID 72105909
(2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine
CID 59545914
4-(5-Ethylpyrazin-2-yl)-2,6-dimethylmorpholine
CID 72322865
2,6-Dimethyl-4-(5-methylpyrazin-2-yl)morpholine
CID 126518062
(2S,6R)-2,6-dimethyl-4-(5-methylpyrazin-2-yl)morpholine
CID 126518242
2-[4-(2-Methoxyethyl)piperazin-1-yl]-5-methylpyrazine
CID 139577067
Ethane;4-(5-methylpyrazin-2-yl)morpholine
CID 143729260

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine (CID 138810440) is 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCN(CCC3COCCO3)CC2)n1.
What is the InChIKey of 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is LZMVLLWKENYNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-11-17-14(2)16(18-13)20-7-5-19(6-8-20)4-3-15-12-21-9-10-22-15/h11,15H,3-10,12H2,1-2H3.
What are the key properties of 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine?
3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 306.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 138810440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).