1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine

C11H18N2O — CID 70289090

IUPAC1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine
SMILESCOC1C=C(N2CCNCC2)C=CC1
InChIInChI=1S/C11H18N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-3,9,11-12H,4-8H2,1H3
InChIKeyWODCHBCXMIJADN-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds2

About 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine

1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 70289090) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine
PubChem CID70289090
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine
SMILESCOC1C=C(N2CCNCC2)C=CC1
InChIInChI=1S/C11H18N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-3,9,11-12H,4-8H2,1H3
InChIKeyWODCHBCXMIJADN-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine (CID 70289090) is 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine is COC1C=C(N2CCNCC2)C=CC1.
What is the InChIKey of 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is WODCHBCXMIJADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-3,9,11-12H,4-8H2,1H3.
What are the key properties of 1-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine?
1-(3-methoxycyclohexa-1,5-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-(3-methoxycyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 70289090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).