(3R)-1,3-dimethylpiperazine;molecular hydrogen

C6H16N2 — CID 145424168

IUPAC(3R)-1,3-dimethylpiperazine;molecular hydrogen
SMILESC[C@@H]1CN(C)CCN1.[H][H]
InChIInChI=1S/C6H14N2.H2/c1-6-5-8(2)4-3-7-6;/h6-7H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKeyNQZTUBQQCSSFBF-FYZOBXCZSA-N
MW116.21 g/mol
LogP0.16
Rot. Bonds

About (3R)-1,3-dimethylpiperazine;molecular hydrogen

(3R)-1,3-dimethylpiperazine;molecular hydrogen (PubChem CID 145424168) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (3R)-1,3-dimethylpiperazine;molecular hydrogen.

Molecular Properties

Compound Name(3R)-1,3-dimethylpiperazine;molecular hydrogen
PubChem CID145424168
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(3R)-1,3-dimethylpiperazine;molecular hydrogen
SMILESC[C@@H]1CN(C)CCN1.[H][H]
InChIInChI=1S/C6H14N2.H2/c1-6-5-8(2)4-3-7-6;/h6-7H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKeyNQZTUBQQCSSFBF-FYZOBXCZSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,3-dimethylpiperazine;ethane
CID 143846249
1,3-dimethylpiperazine;ethane
CID 167500512
1,3-dimethylpiperazine;piperazine;hydrochloride
CID 174960389
(3R)-3-methyl-1-(trideuteriomethyl)piperazine
CID 165429760
(5S)-1,5-dimethyl-1,4-diazepane
CID 93492381
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
1-(2,6-dimethylcyclohexyl)-3-methylpiperazine
CID 65416353
1-cyclopropyl-3-methylpiperazine
CID 64926788
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
CID 82416478

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethylpiperazine;molecular hydrogen?
The IUPAC name of (3R)-1,3-dimethylpiperazine;molecular hydrogen (CID 145424168) is (3R)-1,3-dimethylpiperazine;molecular hydrogen.
What is the SMILES notation for (3R)-1,3-dimethylpiperazine;molecular hydrogen?
The canonical SMILES for (3R)-1,3-dimethylpiperazine;molecular hydrogen is C[C@@H]1CN(C)CCN1.[H][H].
What is the InChIKey of (3R)-1,3-dimethylpiperazine;molecular hydrogen?
The InChIKey is NQZTUBQQCSSFBF-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H14N2.H2/c1-6-5-8(2)4-3-7-6;/h6-7H,3-5H2,1-2H3;1H/t6-;/m1./s1.
What are the key properties of (3R)-1,3-dimethylpiperazine;molecular hydrogen?
(3R)-1,3-dimethylpiperazine;molecular hydrogen has a molecular weight of 116.21 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethylpiperazine;molecular hydrogen is sourced from PubChem (CID 145424168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).