ethane;4-methylpiperidine;piperidine

C13H30N2 — CID 143189861

IUPACethane;4-methylpiperidine;piperidine
SMILESC1CCNCC1.CC.CC1CCNCC1
InChIInChI=1S/C6H13N.C5H11N.C2H6/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-2/h6-7H,2-5H2,1H3;6H,1-5H2;1-2H3
InChIKeyGAURJMXGOGKILI-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.79
Rot. Bonds

About ethane;4-methylpiperidine;piperidine

ethane;4-methylpiperidine;piperidine (PubChem CID 143189861) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is ethane;4-methylpiperidine;piperidine.

Molecular Properties

Compound Nameethane;4-methylpiperidine;piperidine
PubChem CID143189861
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Nameethane;4-methylpiperidine;piperidine
SMILESC1CCNCC1.CC.CC1CCNCC1
InChIInChI=1S/C6H13N.C5H11N.C2H6/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-2/h6-7H,2-5H2,1H3;6H,1-5H2;1-2H3
InChIKeyGAURJMXGOGKILI-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methylpiperidine;nitroxyl
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ethane;methane;piperidine
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1,4-diazonane;ethane
CID 176692085
ethane;1-methylpiperazine;4-methylpiperidine
CID 145158402
ethane;1-methylpiperazine;4-methylpiperidine
CID 166533562
ethane;pyrrolidine;hydrofluoride
CID 143607064
azacycloheptadecane
CID 22627811
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azepane;piperidine
CID 67415778
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CID 15722582

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylpiperidine;piperidine?
The IUPAC name of ethane;4-methylpiperidine;piperidine (CID 143189861) is ethane;4-methylpiperidine;piperidine.
What is the SMILES notation for ethane;4-methylpiperidine;piperidine?
The canonical SMILES for ethane;4-methylpiperidine;piperidine is C1CCNCC1.CC.CC1CCNCC1.
What is the InChIKey of ethane;4-methylpiperidine;piperidine?
The InChIKey is GAURJMXGOGKILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11N.C2H6/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-2/h6-7H,2-5H2,1H3;6H,1-5H2;1-2H3.
What are the key properties of ethane;4-methylpiperidine;piperidine?
ethane;4-methylpiperidine;piperidine has a molecular weight of 214.40 g/mol, XLogP of 2.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpiperidine;piperidine is sourced from PubChem (CID 143189861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).