1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine

C12H17N3 — CID 123234443

IUPAC1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine
SMILESC=c1nc(N2CCNCC2)cc(C)c1=C
InChIInChI=1S/C12H17N3/c1-9-8-12(14-11(3)10(9)2)15-6-4-13-5-7-15/h8,13H,2-7H2,1H3
InChIKeyUQPLEBVYMGGWCF-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.38
Rot. Bonds1

About 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine

1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine (PubChem CID 123234443) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine
PubChem CID123234443
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine
SMILESC=c1nc(N2CCNCC2)cc(C)c1=C
InChIInChI=1S/C12H17N3/c1-9-8-12(14-11(3)10(9)2)15-6-4-13-5-7-15/h8,13H,2-7H2,1H3
InChIKeyUQPLEBVYMGGWCF-UHFFFAOYSA-N
XLogP-0.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

c4-Carbonyl piperazinyl indole
CID 177682691
N'-(4-ethylhexa-2,4-dien-3-yl)-2-(propan-2-ylamino)ethanimidamide
CID 123391777
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
(NZ)-N-(aminomethylidene)-N'-[(6-methylidene-2,3-dihydro-1H-pyridin-4-yl)methyl]piperazine-1-carboximidamide;ethane
CID 141771425
N-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]propyl]-5,6-dihydro-3H-isoindol-1-amine
CID 141911172
(3E)-5-[4-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-5-methyliminopenta-1,3-dien-3-amine
CID 142085184
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898
3-Chloro-11-methyl-5-piperazin-1-yl-2,4-diazabicyclo[5.5.0]dodeca-1(12),2,4,7,10-pentaene
CID 143245107
N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 143397811
ethane;(Z)-1-[6-ethyl-4-(piperazin-1-ylmethyl)-2H-pyridin-1-yl]-N-(methylideneamino)ethanimine
CID 144492309

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine?
The IUPAC name of 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine (CID 123234443) is 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine?
The canonical SMILES for 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine is C=c1nc(N2CCNCC2)cc(C)c1=C.
What is the InChIKey of 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine?
The InChIKey is UQPLEBVYMGGWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-8-12(14-11(3)10(9)2)15-6-4-13-5-7-15/h8,13H,2-7H2,1H3.
What are the key properties of 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine?
1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine has a molecular weight of 203.29 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5,6-dimethylidene-2-pyridinyl)piperazine is sourced from PubChem (CID 123234443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).