(5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine

C12H24N2O — CID 71070375

IUPAC(5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
SMILESCC1CN[C@@H](C)CN1CC1CCOCC1
InChIInChI=1S/C12H24N2O/c1-10-8-14(11(2)7-13-10)9-12-3-5-15-6-4-12/h10-13H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeySKKZYBCOWBWNDD-VUWPPUDQSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds2

About (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine

(5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 71070375) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name(5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID71070375
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
SMILESCC1CN[C@@H](C)CN1CC1CCOCC1
InChIInChI=1S/C12H24N2O/c1-10-8-14(11(2)7-13-10)9-12-3-5-15-6-4-12/h10-13H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeySKKZYBCOWBWNDD-VUWPPUDQSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine (CID 71070375) is (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine is CC1CN[C@@H](C)CN1CC1CCOCC1.
What is the InChIKey of (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is SKKZYBCOWBWNDD-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-8-14(11(2)7-13-10)9-12-3-5-15-6-4-12/h10-13H,3-9H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine?
(5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 71070375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).