1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine

C12H23N3 — CID 142253075

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine
SMILESC1=CC(CN2CCNCC2)=CCC1.CN
InChIInChI=1S/C11H18N2.CH5N/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-2/h2,4-5,12H,1,3,6-10H2;2H2,1H3
InChIKeyNSCNYAGKKWFGLW-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.74
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine

1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine (PubChem CID 142253075) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine
PubChem CID142253075
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine
SMILESC1=CC(CN2CCNCC2)=CCC1.CN
InChIInChI=1S/C11H18N2.CH5N/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-2/h2,4-5,12H,1,3,6-10H2;2H2,1H3
InChIKeyNSCNYAGKKWFGLW-UHFFFAOYSA-N
XLogP0.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

Geranylpiperazine
CID 14497703
1-(3,7-Dimethylocta-2,6-dienyl)piperazine
CID 53785157
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
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
1-[[3,7-Dimethyl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]piperazine
CID 123832271
(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine
CID 141346483
1-[(4,4-Difluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
CID 141752811
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
1-[4-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 143838520

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine (CID 142253075) is 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine is C1=CC(CN2CCNCC2)=CCC1.CN.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine?
The InChIKey is NSCNYAGKKWFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.CH5N/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-2/h2,4-5,12H,1,3,6-10H2;2H2,1H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine?
1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine has a molecular weight of 209.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperazine;methanamine is sourced from PubChem (CID 142253075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).