(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride

C7H17ClN2 — CID 167526507

IUPAC(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride
SMILESC[C@@H]1CN(C)C[C@@H](C)N1.Cl
InChIInChI=1S/C7H16N2.ClH/c1-6-4-9(3)5-7(2)8-6;/h6-8H,4-5H2,1-3H3;1H/t6-,7-;/m1./s1
InChIKeyGWGGUTAZAVMFBO-ZJLYAJKPSA-N
MW164.68 g/mol
LogP0.72
Rot. Bonds

About (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride

(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride (PubChem CID 167526507) has the molecular formula C7H17ClN2 and a molecular weight of 164.68 g/mol. Its IUPAC name is (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride
PubChem CID167526507
Molecular FormulaC7H17ClN2
Molecular Weight164.68 g/mol
Exact Mass164.11
IUPAC Name(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride
SMILESC[C@@H]1CN(C)C[C@@H](C)N1.Cl
InChIInChI=1S/C7H16N2.ClH/c1-6-4-9(3)5-7(2)8-6;/h6-8H,4-5H2,1-3H3;1H/t6-,7-;/m1./s1
InChIKeyGWGGUTAZAVMFBO-ZJLYAJKPSA-N
XLogP0.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride?
The IUPAC name of (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride (CID 167526507) is (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride.
What is the SMILES notation for (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride?
The canonical SMILES for (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride is C[C@@H]1CN(C)C[C@@H](C)N1.Cl.
What is the InChIKey of (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride?
The InChIKey is GWGGUTAZAVMFBO-ZJLYAJKPSA-N. The full InChI is InChI=1S/C7H16N2.ClH/c1-6-4-9(3)5-7(2)8-6;/h6-8H,4-5H2,1-3H3;1H/t6-,7-;/m1./s1.
What are the key properties of (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride?
(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride has a molecular weight of 164.68 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1,3,5-trimethylpiperazine;hydrochloride is sourced from PubChem (CID 167526507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).