1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine

C12H18N2O — CID 142202921

IUPAC1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine
SMILESCOC1=CC=C(N2CCNCC2)C=CC1
InChIInChI=1S/C12H18N2O/c1-15-12-4-2-3-11(5-6-12)14-9-7-13-8-10-14/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyGATKFEVYOOKUST-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.27
Rot. Bonds2

About 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine

1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine (PubChem CID 142202921) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine
PubChem CID142202921
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine
SMILESCOC1=CC=C(N2CCNCC2)C=CC1
InChIInChI=1S/C12H18N2O/c1-15-12-4-2-3-11(5-6-12)14-9-7-13-8-10-14/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyGATKFEVYOOKUST-UHFFFAOYSA-N
XLogP1.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 91072400
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 123703462
1-[6-[(Z)-3-methylpent-3-enoxy]cyclohepta-1,4,6-trien-1-yl]piperazine
CID 129046160
1-[(2E,5E)-6-methoxyocta-2,5,7-trien-2-yl]piperazine
CID 142202931
1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine
CID 142202937
1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine
CID 142202943
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)piperazine
CID 142202945
1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine
CID 142202949
(2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine
CID 142202965
1-(5-Methoxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 143024295
1-(4-Chloro-2-methoxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 143061464
1-(6-Butoxy-4-chlorocyclohepta-1,3,6-trien-1-yl)piperazine
CID 143061915

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine?
The IUPAC name of 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine (CID 142202921) is 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine.
What is the SMILES notation for 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine?
The canonical SMILES for 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine is COC1=CC=C(N2CCNCC2)C=CC1.
What is the InChIKey of 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine?
The InChIKey is GATKFEVYOOKUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-4-2-3-11(5-6-12)14-9-7-13-8-10-14/h2-3,5-6,13H,4,7-10H2,1H3.
What are the key properties of 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine?
1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine has a molecular weight of 206.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohepta-1,3,6-trien-1-yl)piperazine is sourced from PubChem (CID 142202921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).