(3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine

C11H22N2O — CID 103885735

IUPAC(3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESC[C@H]1CN(CC2CCOCC2)CCN1
InChIInChI=1S/C11H22N2O/c1-10-8-13(5-4-12-10)9-11-2-6-14-7-3-11/h10-12H,2-9H2,1H3/t10-/m0/s1
InChIKeyYCFOYAWTZULLTR-JTQLQIEISA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine

(3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 103885735) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID103885735
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESC[C@H]1CN(CC2CCOCC2)CCN1
InChIInChI=1S/C11H22N2O/c1-10-8-13(5-4-12-10)9-11-2-6-14-7-3-11/h10-12H,2-9H2,1H3/t10-/m0/s1
InChIKeyYCFOYAWTZULLTR-JTQLQIEISA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine (CID 103885735) is (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine is C[C@H]1CN(CC2CCOCC2)CCN1.
What is the InChIKey of (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is YCFOYAWTZULLTR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-8-13(5-4-12-10)9-11-2-6-14-7-3-11/h10-12H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine?
(3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 103885735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).