2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine

C13H22N2 — CID 129144051

IUPAC2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(CC2=CCCC=C2)C1
InChIInChI=1S/C13H22N2/c1-14-8-9-15(2)13(11-14)10-12-6-4-3-5-7-12/h4,6-7,13H,3,5,8-11H2,1-2H3
InChIKeyZIBMMMSDALTRNQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.90
Rot. Bonds2

About 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine

2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine (PubChem CID 129144051) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine
PubChem CID129144051
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(CC2=CCCC=C2)C1
InChIInChI=1S/C13H22N2/c1-14-8-9-15(2)13(11-14)10-12-6-4-3-5-7-12/h4,6-7,13H,3,5,8-11H2,1-2H3
InChIKeyZIBMMMSDALTRNQ-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Butan-2-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
CID 2881666
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304
2-(Cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine
CID 142443820
2-(Cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazine
CID 142444551
1-[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
CID 143150984
1-(6-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 163511248
Cyclopentadienyl dabco
CID 129651753
N-(dimethyloctadienyl)piperidine
CID 129763869
(5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine
CID 142157086
1-(2-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 143483052

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine (CID 129144051) is 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine is CN1CCN(C)C(CC2=CCCC=C2)C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine?
The InChIKey is ZIBMMMSDALTRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-14-8-9-15(2)13(11-14)10-12-6-4-3-5-7-12/h4,6-7,13H,3,5,8-11H2,1-2H3.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine?
2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine has a molecular weight of 206.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine is sourced from PubChem (CID 129144051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).