1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine

C12H20N2O — CID 147281998

IUPAC1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine
SMILESCOC1=CCCC=C1N1CCN(C)CC1
InChIInChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2/h5-6H,3-4,7-10H2,1-2H3
InChIKeyCSMITKDLSVIPBV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.44
Rot. Bonds2

About 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine

1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine (PubChem CID 147281998) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine
PubChem CID147281998
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine
SMILESCOC1=CCCC=C1N1CCN(C)CC1
InChIInChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2/h5-6H,3-4,7-10H2,1-2H3
InChIKeyCSMITKDLSVIPBV-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine (CID 147281998) is 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine is COC1=CCCC=C1N1CCN(C)CC1.
What is the InChIKey of 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine?
The InChIKey is CSMITKDLSVIPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine?
1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine has a molecular weight of 208.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 147281998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).