2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine

C11H18N2O — CID 121458376

IUPAC2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine
SMILESCOC1C=CC=C(C2CNCCN2)C1
InChIInChI=1S/C11H18N2O/c1-14-10-4-2-3-9(7-10)11-8-12-5-6-13-11/h2-4,10-13H,5-8H2,1H3
InChIKeyACKPDNMEJXZMNX-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.45
Rot. Bonds2

About 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine

2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine (PubChem CID 121458376) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine.

Molecular Properties

Compound Name2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine
PubChem CID121458376
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine
SMILESCOC1C=CC=C(C2CNCCN2)C1
InChIInChI=1S/C11H18N2O/c1-14-10-4-2-3-9(7-10)11-8-12-5-6-13-11/h2-4,10-13H,5-8H2,1H3
InChIKeyACKPDNMEJXZMNX-UHFFFAOYSA-N
XLogP0.45
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine?
The IUPAC name of 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine (CID 121458376) is 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine.
What is the SMILES notation for 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine?
The canonical SMILES for 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine is COC1C=CC=C(C2CNCCN2)C1.
What is the InChIKey of 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine?
The InChIKey is ACKPDNMEJXZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-10-4-2-3-9(7-10)11-8-12-5-6-13-11/h2-4,10-13H,5-8H2,1H3.
What are the key properties of 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine?
2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxycyclohexa-1,3-dien-1-yl)piperazine is sourced from PubChem (CID 121458376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).