1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine

C15H26N2O2 — CID 70279012

IUPAC1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine
SMILESCOCC1=C(COC)CCC(N2CCNC(C)C2)=C1
InChIInChI=1S/C15H26N2O2/c1-12-9-17(7-6-16-12)15-5-4-13(10-18-2)14(8-15)11-19-3/h8,12,16H,4-7,9-11H2,1-3H3
InChIKeyFBYXPHKCNCUKNG-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.55
Rot. Bonds5

About 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine

1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine (PubChem CID 70279012) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine
PubChem CID70279012
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine
SMILESCOCC1=C(COC)CCC(N2CCNC(C)C2)=C1
InChIInChI=1S/C15H26N2O2/c1-12-9-17(7-6-16-12)15-5-4-13(10-18-2)14(8-15)11-19-3/h8,12,16H,4-7,9-11H2,1-3H3
InChIKeyFBYXPHKCNCUKNG-UHFFFAOYSA-N
XLogP1.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine
CID 141076332
1-(5,6-Dihydrocyclopenta[b]pyran-7-yl)piperazine
CID 57122160
2-[(4-Methoxycyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperazine
CID 68355047
2-(5-Methoxycyclohexa-1,3-dien-1-yl)piperazine
CID 121458376
1-[(2E,4Z)-6-methoxy-4-(methoxymethyl)-5-methylhexa-2,4-dien-2-yl]-3-methylpiperazine
CID 145539835
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine
CID 115896006

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine?
The IUPAC name of 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine (CID 70279012) is 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine.
What is the SMILES notation for 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine?
The canonical SMILES for 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine is COCC1=C(COC)CCC(N2CCNC(C)C2)=C1.
What is the InChIKey of 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine?
The InChIKey is FBYXPHKCNCUKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12-9-17(7-6-16-12)15-5-4-13(10-18-2)14(8-15)11-19-3/h8,12,16H,4-7,9-11H2,1-3H3.
What are the key properties of 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine?
1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine has a molecular weight of 266.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine is sourced from PubChem (CID 70279012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).