ethane;1-methylpiperazine;4-methylpiperidine

C17H43N3 — CID 166533562

IUPACethane;1-methylpiperazine;4-methylpiperidine
SMILESCC.CC.CC.CC1CCNCC1.CN1CCNCC1
InChIInChI=1S/C6H13N.C5H12N2.3C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;3*1-2/h6-7H,2-5H2,1H3;6H,2-5H2,1H3;3*1-2H3
InChIKeyPSQZLRKZNFIUDK-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.61
Rot. Bonds

About ethane;1-methylpiperazine;4-methylpiperidine

ethane;1-methylpiperazine;4-methylpiperidine (PubChem CID 166533562) has the molecular formula C17H43N3 and a molecular weight of 289.55 g/mol. Its IUPAC name is ethane;1-methylpiperazine;4-methylpiperidine.

Molecular Properties

Compound Nameethane;1-methylpiperazine;4-methylpiperidine
PubChem CID166533562
Molecular FormulaC17H43N3
Molecular Weight289.55 g/mol
Exact Mass289.35
IUPAC Nameethane;1-methylpiperazine;4-methylpiperidine
SMILESCC.CC.CC.CC1CCNCC1.CN1CCNCC1
InChIInChI=1S/C6H13N.C5H12N2.3C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;3*1-2/h6-7H,2-5H2,1H3;6H,2-5H2,1H3;3*1-2H3
InChIKeyPSQZLRKZNFIUDK-UHFFFAOYSA-N
XLogP3.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methylpiperazine;4-methylpiperidine
CID 145158402
1,7-dimethyl-1,4-diazonane
CID 59686503
ethane;1-methylpiperazine
CID 91350928
ethane;methane;1-methylpiperazine
CID 142051303
ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine
CID 143709401
1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine
CID 143539499
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
cyclopropane;1-methylpiperazine
CID 166166790

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpiperazine;4-methylpiperidine?
The IUPAC name of ethane;1-methylpiperazine;4-methylpiperidine (CID 166533562) is ethane;1-methylpiperazine;4-methylpiperidine.
What is the SMILES notation for ethane;1-methylpiperazine;4-methylpiperidine?
The canonical SMILES for ethane;1-methylpiperazine;4-methylpiperidine is CC.CC.CC.CC1CCNCC1.CN1CCNCC1.
What is the InChIKey of ethane;1-methylpiperazine;4-methylpiperidine?
The InChIKey is PSQZLRKZNFIUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H12N2.3C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;3*1-2/h6-7H,2-5H2,1H3;6H,2-5H2,1H3;3*1-2H3.
What are the key properties of ethane;1-methylpiperazine;4-methylpiperidine?
ethane;1-methylpiperazine;4-methylpiperidine has a molecular weight of 289.55 g/mol, XLogP of 3.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperazine;4-methylpiperidine is sourced from PubChem (CID 166533562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).