(2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine

C11H22N2O — CID 166077858

IUPAC(2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine
SMILESCOC1CC(N2CCN(C)[C@@H](C)C2)C1
InChIInChI=1S/C11H22N2O/c1-9-8-13(5-4-12(9)2)10-6-11(7-10)14-3/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m0/s1
InChIKeyMNKPPBVAVDVXIQ-WHXUTIOJSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds2

About (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine

(2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine (PubChem CID 166077858) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine
PubChem CID166077858
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine
SMILESCOC1CC(N2CCN(C)[C@@H](C)C2)C1
InChIInChI=1S/C11H22N2O/c1-9-8-13(5-4-12(9)2)10-6-11(7-10)14-3/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m0/s1
InChIKeyMNKPPBVAVDVXIQ-WHXUTIOJSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine?
The IUPAC name of (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine (CID 166077858) is (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine.
What is the SMILES notation for (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine?
The canonical SMILES for (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine is COC1CC(N2CCN(C)[C@@H](C)C2)C1.
What is the InChIKey of (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine?
The InChIKey is MNKPPBVAVDVXIQ-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-8-13(5-4-12(9)2)10-6-11(7-10)14-3/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine?
(2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-methoxycyclobutyl)-1,2-dimethylpiperazine is sourced from PubChem (CID 166077858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).