1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine

C11H18N2O — CID 170254019

IUPAC1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine
SMILESCOC1=CC=CCC1N1CCNCC1
InChIInChI=1S/C11H18N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-3,5,10,12H,4,6-9H2,1H3
InChIKeyYHWHPGLEDHPQDA-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds2

About 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine

1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine (PubChem CID 170254019) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine
PubChem CID170254019
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine
SMILESCOC1=CC=CCC1N1CCNCC1
InChIInChI=1S/C11H18N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-3,5,10,12H,4,6-9H2,1H3
InChIKeyYHWHPGLEDHPQDA-UHFFFAOYSA-N
XLogP0.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 19765014
Dihydro-4-methyl-2H-1,4-benzoxazine-2-methanamine
CID 67497114
6-Iodo-2-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 68331794
2-Methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine
CID 70895092
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
6-(4-Ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine
CID 118296266
N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine
CID 123930931
1-(6-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 141787665
1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine
CID 142202943
Ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 142256489
1-[(E)-2-methoxypent-2-enyl]piperazine
CID 143703301
1-[(Z)-2-methoxypent-2-enyl]piperazine
CID 144961828

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine?
The IUPAC name of 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine (CID 170254019) is 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine.
What is the SMILES notation for 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine?
The canonical SMILES for 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine is COC1=CC=CCC1N1CCNCC1.
What is the InChIKey of 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine?
The InChIKey is YHWHPGLEDHPQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-3,5,10,12H,4,6-9H2,1H3.
What are the key properties of 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine?
1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexa-2,4-dien-1-yl)piperazine is sourced from PubChem (CID 170254019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).