2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine

C12H18N4 — CID 89230817

IUPAC2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine
SMILESC=C1NC2=C(C=CCN2)N1C1CCNCC1
InChIInChI=1S/C12H18N4/c1-9-15-12-11(3-2-6-14-12)16(9)10-4-7-13-8-5-10/h2-3,10,13-15H,1,4-8H2
InChIKeyDHGVNGPOYDICOV-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.44
Rot. Bonds1

About 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine

2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine (PubChem CID 89230817) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine
PubChem CID89230817
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine
SMILESC=C1NC2=C(C=CCN2)N1C1CCNCC1
InChIInChI=1S/C12H18N4/c1-9-15-12-11(3-2-6-14-12)16(9)10-4-7-13-8-5-10/h2-3,10,13-15H,1,4-8H2
InChIKeyDHGVNGPOYDICOV-UHFFFAOYSA-N
XLogP0.44
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine (CID 89230817) is 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine is C=C1NC2=C(C=CCN2)N1C1CCNCC1.
What is the InChIKey of 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine?
The InChIKey is DHGVNGPOYDICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-15-12-11(3-2-6-14-12)16(9)10-4-7-13-8-5-10/h2-3,10,13-15H,1,4-8H2.
What are the key properties of 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine?
2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine has a molecular weight of 218.30 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 89230817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).