ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine

C12H26N2O — CID 169257794

IUPACethane;1-(3-methoxycyclobutyl)-4-methylpiperazine
SMILESCC.COC1CC(N2CCN(C)CC2)C1
InChIInChI=1S/C10H20N2O.C2H6/c1-11-3-5-12(6-4-11)9-7-10(8-9)13-2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyXTJKFIVVIFZBGY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds2

About ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine

ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine (PubChem CID 169257794) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-(3-methoxycyclobutyl)-4-methylpiperazine
PubChem CID169257794
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Nameethane;1-(3-methoxycyclobutyl)-4-methylpiperazine
SMILESCC.COC1CC(N2CCN(C)CC2)C1
InChIInChI=1S/C10H20N2O.C2H6/c1-11-3-5-12(6-4-11)9-7-10(8-9)13-2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyXTJKFIVVIFZBGY-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine?
The IUPAC name of ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine (CID 169257794) is ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine.
What is the SMILES notation for ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine?
The canonical SMILES for ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine is CC.COC1CC(N2CCN(C)CC2)C1.
What is the InChIKey of ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine?
The InChIKey is XTJKFIVVIFZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6/c1-11-3-5-12(6-4-11)9-7-10(8-9)13-2;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine?
ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxycyclobutyl)-4-methylpiperazine is sourced from PubChem (CID 169257794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).