5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine

C11H19N3 — CID 89074158

IUPAC5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(N)=CC=C1N1CCNCC1
InChIInChI=1S/C11H19N3/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,9,13H,4-8,12H2,1H3
InChIKeyYNBWOEIYZLWXCH-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.66
Rot. Bonds1

About 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine

5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine (PubChem CID 89074158) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine
PubChem CID89074158
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(N)=CC=C1N1CCNCC1
InChIInChI=1S/C11H19N3/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,9,13H,4-8,12H2,1H3
InChIKeyYNBWOEIYZLWXCH-UHFFFAOYSA-N
XLogP0.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine (CID 89074158) is 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine is CC1CC(N)=CC=C1N1CCNCC1.
What is the InChIKey of 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is YNBWOEIYZLWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,9,13H,4-8,12H2,1H3.
What are the key properties of 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine?
5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89074158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).