1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine

C15H21N3 — CID 126720096

IUPAC1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
SMILESC=c1cc(C=C(C)C)nc(N2CCNCC2)c1=C
InChIInChI=1S/C15H21N3/c1-11(2)9-14-10-12(3)13(4)15(17-14)18-7-5-16-6-8-18/h9-10,16H,3-8H2,1-2H3
InChIKeyOVWKCFBQOHAHAO-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.74
Rot. Bonds2

About 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine

1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine (PubChem CID 126720096) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
PubChem CID126720096
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
SMILESC=c1cc(C=C(C)C)nc(N2CCNCC2)c1=C
InChIInChI=1S/C15H21N3/c1-11(2)9-14-10-12(3)13(4)15(17-14)18-7-5-16-6-8-18/h9-10,16H,3-8H2,1-2H3
InChIKeyOVWKCFBQOHAHAO-UHFFFAOYSA-N
XLogP0.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine (CID 126720096) is 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine is C=c1cc(C=C(C)C)nc(N2CCNCC2)c1=C.
What is the InChIKey of 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine?
The InChIKey is OVWKCFBQOHAHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)9-14-10-12(3)13(4)15(17-14)18-7-5-16-6-8-18/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine?
1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine has a molecular weight of 243.35 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 126720096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).