(3S)-1,3-dimethylpiperazine

C6H14N2 — CID 13152036

IUPAC(3S)-1,3-dimethylpiperazine
SMILESC[C@H]1CN(C)CCN1
InChIInChI=1S/C6H14N2/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyFMMUNDXXVADKHS-LURJTMIESA-N
MW114.19 g/mol
LogP-0.09
Rot. Bonds

About (3S)-1,3-dimethylpiperazine

(3S)-1,3-dimethylpiperazine (PubChem CID 13152036) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (3S)-1,3-dimethylpiperazine.

Molecular Properties

Compound Name(3S)-1,3-dimethylpiperazine
PubChem CID13152036
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(3S)-1,3-dimethylpiperazine
SMILESC[C@H]1CN(C)CCN1
InChIInChI=1S/C6H14N2/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyFMMUNDXXVADKHS-LURJTMIESA-N
XLogP-0.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethylpiperazine?
The IUPAC name of (3S)-1,3-dimethylpiperazine (CID 13152036) is (3S)-1,3-dimethylpiperazine.
What is the SMILES notation for (3S)-1,3-dimethylpiperazine?
The canonical SMILES for (3S)-1,3-dimethylpiperazine is C[C@H]1CN(C)CCN1.
What is the InChIKey of (3S)-1,3-dimethylpiperazine?
The InChIKey is FMMUNDXXVADKHS-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-1,3-dimethylpiperazine?
(3S)-1,3-dimethylpiperazine has a molecular weight of 114.19 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethylpiperazine is sourced from PubChem (CID 13152036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).