ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine

C13H24N2O — CID 142256489

IUPACethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
SMILESCC.COC1=CC(N2CCNCC2)CC=C1
InChIInChI=1S/C11H18N2O.C2H6/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;1-2/h2,4,9-10,12H,3,5-8H2,1H3;1-2H3
InChIKeyBXDMRPDXNOQHET-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds2

About ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine

ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine (PubChem CID 142256489) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine.

Molecular Properties

Compound Nameethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
PubChem CID142256489
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
SMILESCC.COC1=CC(N2CCNCC2)CC=C1
InChIInChI=1S/C11H18N2O.C2H6/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;1-2/h2,4,9-10,12H,3,5-8H2,1H3;1-2H3
InChIKeyBXDMRPDXNOQHET-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-Difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine
CID 139566334
1-[3-(2-Fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine
CID 143061932
1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 67011254
1-(4-Chloro-3-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 67104061
1-(1-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 69797584
(4-Methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine
CID 70021067
1-(3-Methoxycyclohexa-1,5-dien-1-yl)piperazine
CID 70289090
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
6-Methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine
CID 70886851
(3-Ethoxy-6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
CID 88850353
4-Piperazin-1-ylcyclohexa-1,5-dien-1-ol
CID 89307926
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine?
The IUPAC name of ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine (CID 142256489) is ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine.
What is the SMILES notation for ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine?
The canonical SMILES for ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine is CC.COC1=CC(N2CCNCC2)CC=C1.
What is the InChIKey of ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine?
The InChIKey is BXDMRPDXNOQHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;1-2/h2,4,9-10,12H,3,5-8H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine?
ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine has a molecular weight of 224.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine is sourced from PubChem (CID 142256489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).