3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine

C12H21N3O — CID 143566789

IUPAC3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine
SMILESCOC1(C)C=C(N)C(N2CCNCC2)=CC1
InChIInChI=1S/C12H21N3O/c1-12(16-2)4-3-11(10(13)9-12)15-7-5-14-6-8-15/h3,9,14H,4-8,13H2,1-2H3
InChIKeyXZLPYTNMZZGBKB-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.43
Rot. Bonds2

About 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine

3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine (PubChem CID 143566789) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine
PubChem CID143566789
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine
SMILESCOC1(C)C=C(N)C(N2CCNCC2)=CC1
InChIInChI=1S/C12H21N3O/c1-12(16-2)4-3-11(10(13)9-12)15-7-5-14-6-8-15/h3,9,14H,4-8,13H2,1-2H3
InChIKeyXZLPYTNMZZGBKB-UHFFFAOYSA-N
XLogP0.43
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[4-(difluoromethoxy)-3-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-3-methylpiperazine
CID 145539846
1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 67011254
1-(1-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 69797584
1-(3-Methoxycyclohexa-1,5-dien-1-yl)piperazine
CID 70289090
N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine
CID 123458037
2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine
CID 134407543
1-Methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol
CID 140974107
1-(6-Methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 143188882
N'-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
CID 67918394

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine (CID 143566789) is 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine is COC1(C)C=C(N)C(N2CCNCC2)=CC1.
What is the InChIKey of 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is XZLPYTNMZZGBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(16-2)4-3-11(10(13)9-12)15-7-5-14-6-8-15/h3,9,14H,4-8,13H2,1-2H3.
What are the key properties of 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine?
3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143566789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).