1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine

C12H20N2O — CID 147218269

IUPAC1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCOC1C=CC=CC1N1CCN(C)CC1
InChIInChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyCGNYHGRWMZXGCH-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.74
Rot. Bonds2

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

1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine (PubChem CID 147218269) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine
PubChem CID147218269
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCOC1C=CC=CC1N1CCN(C)CC1
InChIInChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyCGNYHGRWMZXGCH-UHFFFAOYSA-N
XLogP0.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 58787092
4,6-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 59613732
4,7-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 60032173
4-(Cyclohexa-1,5-dien-1-ylmethyl)-2-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperazine
CID 68355004
3,6-Diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;ZINC;chloride
CID 88609851
4-Propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 89973809
6-(4-Ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine
CID 118296266
1-(3-Methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine
CID 123521469
4-Methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 123902068
1-(2-Methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine
CID 134579878
4-Ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 137444009
2-[(1E)-buta-1,3-dienyl]-4-propan-2-ylmorpholine
CID 139302734

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine (CID 147218269) is 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine is COC1C=CC=CC1N1CCN(C)CC1.
What is the InChIKey of 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The InChIKey is CGNYHGRWMZXGCH-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/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine has a molecular weight of 208.31 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 147218269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).