1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine

C14H28N2O — CID 114120410

IUPAC1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine
SMILESCOC1CC(N2CCNC(C(C)C)C2)C1(C)C
InChIInChI=1S/C14H28N2O/c1-10(2)11-9-16(7-6-15-11)12-8-13(17-5)14(12,3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyVJQBOEKYFDFMLJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine

1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine (PubChem CID 114120410) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine
PubChem CID114120410
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine
SMILESCOC1CC(N2CCNC(C(C)C)C2)C1(C)C
InChIInChI=1S/C14H28N2O/c1-10(2)11-9-16(7-6-15-11)12-8-13(17-5)14(12,3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyVJQBOEKYFDFMLJ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine (CID 114120410) is 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine is COC1CC(N2CCNC(C(C)C)C2)C1(C)C.
What is the InChIKey of 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine?
The InChIKey is VJQBOEKYFDFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)11-9-16(7-6-15-11)12-8-13(17-5)14(12,3)4/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine?
1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,2-dimethylcyclobutyl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 114120410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).