1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine

C14H24N2 — CID 123762467

IUPAC1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCCC1=C(C)C=CC(N2CCN(C)CC2)C1
InChIInChI=1S/C14H24N2/c1-4-13-11-14(6-5-12(13)2)16-9-7-15(3)8-10-16/h5-6,14H,4,7-11H2,1-3H3
InChIKeyFATNNXIQCDTUHI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.29
Rot. Bonds2

About 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine

1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine (PubChem CID 123762467) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
PubChem CID123762467
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCCC1=C(C)C=CC(N2CCN(C)CC2)C1
InChIInChI=1S/C14H24N2/c1-4-13-11-14(6-5-12(13)2)16-9-7-15(3)8-10-16/h5-6,14H,4,7-11H2,1-3H3
InChIKeyFATNNXIQCDTUHI-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine (CID 123762467) is 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine is CCC1=C(C)C=CC(N2CCN(C)CC2)C1.
What is the InChIKey of 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The InChIKey is FATNNXIQCDTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-13-11-14(6-5-12(13)2)16-9-7-15(3)8-10-16/h5-6,14H,4,7-11H2,1-3H3.
What are the key properties of 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine has a molecular weight of 220.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 123762467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).