6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine

C13H23N3O — CID 118296266

IUPAC6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCCN1CCN(C2(OC)C=CC=CC2N)CC1
InChIInChI=1S/C13H23N3O/c1-3-15-8-10-16(11-9-15)13(17-2)7-5-4-6-12(13)14/h4-7,12H,3,8-11,14H2,1-2H3
InChIKeyDTUSDFRHFYILBB-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.42
Rot. Bonds3

About 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine

6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 118296266) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine
PubChem CID118296266
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCCN1CCN(C2(OC)C=CC=CC2N)CC1
InChIInChI=1S/C13H23N3O/c1-3-15-8-10-16(11-9-15)13(17-2)7-5-4-6-12(13)14/h4-7,12H,3,8-11,14H2,1-2H3
InChIKeyDTUSDFRHFYILBB-UHFFFAOYSA-N
XLogP0.42
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine (CID 118296266) is 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine is CCN1CCN(C2(OC)C=CC=CC2N)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is DTUSDFRHFYILBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-15-8-10-16(11-9-15)13(17-2)7-5-4-6-12(13)14/h4-7,12H,3,8-11,14H2,1-2H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine?
6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 237.35 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 118296266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).