1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine

C11H18N2 — CID 23453941

IUPAC1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine
SMILESC1=CCC(CN2CCNCC2)C=C1
InChIInChI=1S/C11H18N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-4,11-12H,5-10H2
InChIKeyCYYCWSCGXQSULJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.02
Rot. Bonds2

About 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine

1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine (PubChem CID 23453941) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine
PubChem CID23453941
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine
SMILESC1=CCC(CN2CCNCC2)C=C1
InChIInChI=1S/C11H18N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-4,11-12H,5-10H2
InChIKeyCYYCWSCGXQSULJ-UHFFFAOYSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
1-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine
CID 141346483
1-[(6-Fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
CID 145187044
1-(5-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 146265962
1-(4-Fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
CID 154541137
1-[[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 175814400
4-Cyclohexa-1,5-dien-1-ylpiperidine
CID 17989464
1-Cyclohexa-1,3-dien-1-ylpiperazine
CID 21620788
1-Hexa-3,5-dienylpiperazine
CID 53935338
3,3-dimethyl-1-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]piperazine
CID 68343985
1-Methyl-4-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 68393512

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine?
The IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine (CID 23453941) is 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine?
The canonical SMILES for 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine is C1=CCC(CN2CCNCC2)C=C1.
What is the InChIKey of 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine?
The InChIKey is CYYCWSCGXQSULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-4,11-12H,5-10H2.
What are the key properties of 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine?
1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine has a molecular weight of 178.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-2,4-dien-1-ylmethyl)piperazine is sourced from PubChem (CID 23453941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).