ethane;1-methyl-4-(oxetan-3-yl)piperazine

C10H22N2O — CID 144595664

IUPACethane;1-methyl-4-(oxetan-3-yl)piperazine
SMILESCC.CN1CCN(C2COC2)CC1
InChIInChI=1S/C8H16N2O.C2H6/c1-9-2-4-10(5-3-9)8-6-11-7-8;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyFFRJYUNQDDEYPM-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.66
Rot. Bonds1

About ethane;1-methyl-4-(oxetan-3-yl)piperazine

ethane;1-methyl-4-(oxetan-3-yl)piperazine (PubChem CID 144595664) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is ethane;1-methyl-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(oxetan-3-yl)piperazine
PubChem CID144595664
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nameethane;1-methyl-4-(oxetan-3-yl)piperazine
SMILESCC.CN1CCN(C2COC2)CC1
InChIInChI=1S/C8H16N2O.C2H6/c1-9-2-4-10(5-3-9)8-6-11-7-8;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyFFRJYUNQDDEYPM-UHFFFAOYSA-N
XLogP0.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(oxetan-3-yl)piperidine
CID 170574433
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
1-methyl-4-(oxolan-3-yl)-1,4-diazepane
CID 143294368
(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419843
1,1-dimethyl-4-(oxetan-3-yl)piperazin-1-ium
CID 123791277
1,4-dimethylpiperazine;ethane
CID 91292414
N,N-dimethyl-4-(4-methylpiperazin-1-yl)oxolan-3-amine
CID 58695994
1-(azetidin-3-yl)-4-methylpiperazine
CID 20659800
ethane;3-methyl-1-(oxetan-3-yl)azetidine
CID 144739984

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(oxetan-3-yl)piperazine?
The IUPAC name of ethane;1-methyl-4-(oxetan-3-yl)piperazine (CID 144595664) is ethane;1-methyl-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(oxetan-3-yl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(oxetan-3-yl)piperazine is CC.CN1CCN(C2COC2)CC1.
What is the InChIKey of ethane;1-methyl-4-(oxetan-3-yl)piperazine?
The InChIKey is FFRJYUNQDDEYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H6/c1-9-2-4-10(5-3-9)8-6-11-7-8;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(oxetan-3-yl)piperazine?
ethane;1-methyl-4-(oxetan-3-yl)piperazine has a molecular weight of 186.30 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 144595664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).