4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine

C12H24N2O — CID 166078003

IUPAC4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine
SMILESCOC1CC(N2CCN(C)C(C)(C)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2)9-14(6-5-13(12)3)10-7-11(8-10)15-4/h10-11H,5-9H2,1-4H3
InChIKeyNKWJXJLAJPEHSK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds2

About 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine

4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine (PubChem CID 166078003) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine
PubChem CID166078003
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine
SMILESCOC1CC(N2CCN(C)C(C)(C)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2)9-14(6-5-13(12)3)10-7-11(8-10)15-4/h10-11H,5-9H2,1-4H3
InChIKeyNKWJXJLAJPEHSK-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine?
The IUPAC name of 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine (CID 166078003) is 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine is COC1CC(N2CCN(C)C(C)(C)C2)C1.
What is the InChIKey of 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine?
The InChIKey is NKWJXJLAJPEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2)9-14(6-5-13(12)3)10-7-11(8-10)15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine?
4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycyclobutyl)-1,2,2-trimethylpiperazine is sourced from PubChem (CID 166078003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).