azane;2-methylpiperazine;dihydrochloride

C5H17Cl2N3 — CID 174255785

IUPACazane;2-methylpiperazine;dihydrochloride
SMILESCC1CNCCN1.Cl.Cl.N
InChIInChI=1S/C5H12N2.2ClH.H3N/c1-5-4-6-2-3-7-5;;;/h5-7H,2-4H2,1H3;2*1H;1H3
InChIKeyXCEZDHLMFVRFMJ-UHFFFAOYSA-N
MW190.12 g/mol
LogP0.57
Rot. Bonds

About azane;2-methylpiperazine;dihydrochloride

azane;2-methylpiperazine;dihydrochloride (PubChem CID 174255785) has the molecular formula C5H17Cl2N3 and a molecular weight of 190.12 g/mol. Its IUPAC name is azane;2-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Nameazane;2-methylpiperazine;dihydrochloride
PubChem CID174255785
Molecular FormulaC5H17Cl2N3
Molecular Weight190.12 g/mol
Exact Mass189.08
IUPAC Nameazane;2-methylpiperazine;dihydrochloride
SMILESCC1CNCCN1.Cl.Cl.N
InChIInChI=1S/C5H12N2.2ClH.H3N/c1-5-4-6-2-3-7-5;;;/h5-7H,2-4H2,1H3;2*1H;1H3
InChIKeyXCEZDHLMFVRFMJ-UHFFFAOYSA-N
XLogP0.57
TPSA59.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpiperazine
CID 66057
2,5-Dimethylpiperazine
CID 7816
1-Isopropylpiperazine
CID 78013
2,5-Dimethylpiperazine, trans-
CID 220672
N-(2-aminopropyl)propane-1,2-diamine
CID 96199
2,3,5,6-Tetramethylpiperazine
CID 521970
2,6-Dimethylpiperazine
CID 66056
1-Isopropyl-piperazine hydrochloride
CID 16188447
Dimethylpiperazine
CID 198037
2-Methylpiperazine, (S)-
CID 2734219
rel-(2R,6S)-2,6-dimethylpiperazine
CID 6950261
2-Methylpiperazine, (R)-
CID 7330434

Frequently Asked Questions

What is the IUPAC name of azane;2-methylpiperazine;dihydrochloride?
The IUPAC name of azane;2-methylpiperazine;dihydrochloride (CID 174255785) is azane;2-methylpiperazine;dihydrochloride.
What is the SMILES notation for azane;2-methylpiperazine;dihydrochloride?
The canonical SMILES for azane;2-methylpiperazine;dihydrochloride is CC1CNCCN1.Cl.Cl.N.
What is the InChIKey of azane;2-methylpiperazine;dihydrochloride?
The InChIKey is XCEZDHLMFVRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH.H3N/c1-5-4-6-2-3-7-5;;;/h5-7H,2-4H2,1H3;2*1H;1H3.
What are the key properties of azane;2-methylpiperazine;dihydrochloride?
azane;2-methylpiperazine;dihydrochloride has a molecular weight of 190.12 g/mol, XLogP of 0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylpiperazine;dihydrochloride is sourced from PubChem (CID 174255785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).