1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine

C14H24N2O — CID 142920845

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine
SMILESCOCCC1CN(CC2=CCCC=C2)CCN1
InChIInChI=1S/C14H24N2O/c1-17-10-7-14-12-16(9-8-15-14)11-13-5-3-2-4-6-13/h3,5-6,14-15H,2,4,7-12H2,1H3
InChIKeyJGTPZENOROQDHC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.57
Rot. Bonds5

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine

1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine (PubChem CID 142920845) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine
PubChem CID142920845
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine
SMILESCOCCC1CN(CC2=CCCC=C2)CCN1
InChIInChI=1S/C14H24N2O/c1-17-10-7-14-12-16(9-8-15-14)11-13-5-3-2-4-6-13/h3,5-6,14-15H,2,4,7-12H2,1H3
InChIKeyJGTPZENOROQDHC-UHFFFAOYSA-N
XLogP1.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine
CID 134291689
1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine
CID 142920889
2-Cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine
CID 143800495
N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine
CID 144922631
1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium
CID 155709754
[4-(4-Prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone
CID 173354393
4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315096
1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine
CID 114410639
4-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 114410852
(1-Cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine
CID 114620630
2-Cyclohexa-1,5-dien-1-yl-1-methylpiperazine
CID 143800496

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine (CID 142920845) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine is COCCC1CN(CC2=CCCC=C2)CCN1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine?
The InChIKey is JGTPZENOROQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-17-10-7-14-12-16(9-8-15-14)11-13-5-3-2-4-6-13/h3,5-6,14-15H,2,4,7-12H2,1H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine is sourced from PubChem (CID 142920845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).