ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane

C22H50N6 — CID 162741885

IUPACethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
SMILESC1CC(CN2CC3(CNC3)C2)CCN1.CC.CCN1CCNCC1.CCNC
InChIInChI=1S/C11H21N3.C6H14N2.C3H9N.C2H6/c1-3-12-4-2-10(1)5-14-8-11(9-14)6-13-7-11;1-2-8-5-3-7-4-6-8;1-3-4-2;1-2/h10,12-13H,1-9H2;7H,2-6H2,1H3;4H,3H2,1-2H3;1-2H3
InChIKeyQOTLPUIMIGCEDZ-UHFFFAOYSA-N
MW398.68 g/mol
LogP1.05
Rot. Bonds4

About ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane

ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 162741885) has the molecular formula C22H50N6 and a molecular weight of 398.68 g/mol. Its IUPAC name is ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
PubChem CID162741885
Molecular FormulaC22H50N6
Molecular Weight398.68 g/mol
Exact Mass398.41
IUPAC Nameethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
SMILESC1CC(CN2CC3(CNC3)C2)CCN1.CC.CCN1CCNCC1.CCNC
InChIInChI=1S/C11H21N3.C6H14N2.C3H9N.C2H6/c1-3-12-4-2-10(1)5-14-8-11(9-14)6-13-7-11;1-2-8-5-3-7-4-6-8;1-3-4-2;1-2/h10,12-13H,1-9H2;7H,2-6H2,1H3;4H,3H2,1-2H3;1-2H3
InChIKeyQOTLPUIMIGCEDZ-UHFFFAOYSA-N
XLogP1.05
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane (CID 162741885) is ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane is C1CC(CN2CC3(CNC3)C2)CCN1.CC.CCN1CCNCC1.CCNC.
What is the InChIKey of ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is QOTLPUIMIGCEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.C6H14N2.C3H9N.C2H6/c1-3-12-4-2-10(1)5-14-8-11(9-14)6-13-7-11;1-2-8-5-3-7-4-6-8;1-3-4-2;1-2/h10,12-13H,1-9H2;7H,2-6H2,1H3;4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 398.68 g/mol, XLogP of 1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 162741885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).