1-methyl-4-(4-methyloxan-4-yl)piperazine

C11H22N2O — CID 89242747

IUPAC1-methyl-4-(4-methyloxan-4-yl)piperazine
SMILESCN1CCN(C2(C)CCOCC2)CC1
InChIInChI=1S/C11H22N2O/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h3-10H2,1-2H3
InChIKeyNFSQAJKIZANGJI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds1

About 1-methyl-4-(4-methyloxan-4-yl)piperazine

1-methyl-4-(4-methyloxan-4-yl)piperazine (PubChem CID 89242747) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-4-(4-methyloxan-4-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-methyloxan-4-yl)piperazine
PubChem CID89242747
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methyl-4-(4-methyloxan-4-yl)piperazine
SMILESCN1CCN(C2(C)CCOCC2)CC1
InChIInChI=1S/C11H22N2O/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h3-10H2,1-2H3
InChIKeyNFSQAJKIZANGJI-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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 1-methyl-4-(4-methyloxan-4-yl)piperazine?
The IUPAC name of 1-methyl-4-(4-methyloxan-4-yl)piperazine (CID 89242747) is 1-methyl-4-(4-methyloxan-4-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-methyloxan-4-yl)piperazine?
The canonical SMILES for 1-methyl-4-(4-methyloxan-4-yl)piperazine is CN1CCN(C2(C)CCOCC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methyloxan-4-yl)piperazine?
The InChIKey is NFSQAJKIZANGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h3-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methyloxan-4-yl)piperazine?
1-methyl-4-(4-methyloxan-4-yl)piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyloxan-4-yl)piperazine is sourced from PubChem (CID 89242747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).