6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C14H25N5 — CID 79361446

IUPAC6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCC1CN(CC2Cc3nc[nH]c3CN2)CCN1C
InChIInChI=1S/C14H25N5/c1-3-12-9-19(5-4-18(12)2)8-11-6-13-14(7-15-11)17-10-16-13/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyLYTMHWQBYHQOBV-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.45
Rot. Bonds3

About 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 79361446) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID79361446
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCC1CN(CC2Cc3nc[nH]c3CN2)CCN1C
InChIInChI=1S/C14H25N5/c1-3-12-9-19(5-4-18(12)2)8-11-6-13-14(7-15-11)17-10-16-13/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyLYTMHWQBYHQOBV-UHFFFAOYSA-N
XLogP0.45
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 79361446) is 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CCC1CN(CC2Cc3nc[nH]c3CN2)CCN1C.
What is the InChIKey of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is LYTMHWQBYHQOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-12-9-19(5-4-18(12)2)8-11-6-13-14(7-15-11)17-10-16-13/h10-12,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 263.39 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 79361446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).