2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine

C12H23N3 — CID 143800495

IUPAC2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine
SMILESCN.CN1CCNCC1C1=CCCC=C1
InChIInChI=1S/C11H18N2.CH5N/c1-13-8-7-12-9-11(13)10-5-3-2-4-6-10;1-2/h3,5-6,11-12H,2,4,7-9H2,1H3;2H2,1H3
InChIKeyQYCVVXDGIPDJQD-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.74
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine

2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine (PubChem CID 143800495) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine
PubChem CID143800495
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine
SMILESCN.CN1CCNCC1C1=CCCC=C1
InChIInChI=1S/C11H18N2.CH5N/c1-13-8-7-12-9-11(13)10-5-3-2-4-6-10;1-2/h3,5-6,11-12H,2,4,7-9H2,1H3;2H2,1H3
InChIKeyQYCVVXDGIPDJQD-UHFFFAOYSA-N
XLogP0.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
CID 659118
(E)-6,10-dimethyl-N-(2-(piperazin-1-yl)ethyl)undeca-5,9-dien-2-amine
CID 5389110
N-methyltetrahydroquinoxaline
CID 129794484
1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
1-[1-Methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 70148604
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 70542288
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
N-[4-(1-aminoethyl)-6-(fluoromethyl)cyclohexa-2,4-dien-1-yl]-N',N'-diethylethane-1,2-diamine
CID 129289920
1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine
CID 135160132

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine (CID 143800495) is 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine is CN.CN1CCNCC1C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine?
The InChIKey is QYCVVXDGIPDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.CH5N/c1-13-8-7-12-9-11(13)10-5-3-2-4-6-10;1-2/h3,5-6,11-12H,2,4,7-9H2,1H3;2H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine?
2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine has a molecular weight of 209.34 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-1-methylpiperazine;methanamine is sourced from PubChem (CID 143800495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).