1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine

C12H20N2O — CID 148531533

IUPAC1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCOC1=CC=C(N2CCN(C)CC2)CC1
InChIInChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)11-3-5-12(15-2)6-4-11/h3,5H,4,6-10H2,1-2H3
InChIKeyMQJRPKFSTWLDLD-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.44
Rot. Bonds2

About 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine

1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine (PubChem CID 148531533) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
PubChem CID148531533
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCOC1=CC=C(N2CCN(C)CC2)CC1
InChIInChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)11-3-5-12(15-2)6-4-11/h3,5H,4,6-10H2,1-2H3
InChIKeyMQJRPKFSTWLDLD-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 ≤ 500208.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Chloro-4-methoxycyclohexa-1,3-dien-1-yl)-1-hydroxy-2-methylpiperazine
CID 70276098
1-(4-Ethoxycyclohexa-1,3-dien-1-yl)piperidine
CID 123679431
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142040765
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
CID 142040884
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106560
ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
CID 142202950
4-(4-Methylpiperazin-1-yl)cyclohexa-1,3-dien-1-ol
CID 144398847
2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 144662388
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162354
ethane;N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162365
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 162686620
1-(2-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 173071006

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine (CID 148531533) is 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine is COC1=CC=C(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The InChIKey is MQJRPKFSTWLDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)11-3-5-12(15-2)6-4-11/h3,5H,4,6-10H2,1-2H3.
What are the key properties of 1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
1-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine has a molecular weight of 208.31 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-(4-methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 148531533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).