1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane

C13H24N2 — CID 143054399

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane
SMILESC.CN1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C12H20N2.CH4/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;/h3,5-6H,2,4,7-11H2,1H3;1H4
InChIKeyISNWKWXJXUTCAU-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.15
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane (PubChem CID 143054399) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane
PubChem CID143054399
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane
SMILESC.CN1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C12H20N2.CH4/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;/h3,5-6H,2,4,7-11H2,1H3;1H4
InChIKeyISNWKWXJXUTCAU-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane (CID 143054399) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane is C.CN1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane?
The InChIKey is ISNWKWXJXUTCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.CH4/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;/h3,5-6H,2,4,7-11H2,1H3;1H4.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane has a molecular weight of 208.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane is sourced from PubChem (CID 143054399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).