ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine

C16H36N2 — CID 143280877

IUPACethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine
SMILESCC.CCCC(CCC)N1CCN(C)CC1CC
InChIInChI=1S/C14H30N2.C2H6/c1-5-8-14(9-6-2)16-11-10-15(4)12-13(16)7-3;1-2/h13-14H,5-12H2,1-4H3;1-2H3
InChIKeyRNOYIQIFNYTZPW-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.01
Rot. Bonds6

About ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine

ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine (PubChem CID 143280877) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine.

Molecular Properties

Compound Nameethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine
PubChem CID143280877
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Nameethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine
SMILESCC.CCCC(CCC)N1CCN(C)CC1CC
InChIInChI=1S/C14H30N2.C2H6/c1-5-8-14(9-6-2)16-11-10-15(4)12-13(16)7-3;1-2/h13-14H,5-12H2,1-4H3;1-2H3
InChIKeyRNOYIQIFNYTZPW-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine?
The IUPAC name of ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine (CID 143280877) is ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine.
What is the SMILES notation for ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine?
The canonical SMILES for ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine is CC.CCCC(CCC)N1CCN(C)CC1CC.
What is the InChIKey of ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine?
The InChIKey is RNOYIQIFNYTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2.C2H6/c1-5-8-14(9-6-2)16-11-10-15(4)12-13(16)7-3;1-2/h13-14H,5-12H2,1-4H3;1-2H3.
What are the key properties of ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine?
ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine has a molecular weight of 256.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine is sourced from PubChem (CID 143280877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).