1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H23N5 — CID 84743991

IUPAC1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(N1CCN(c3ccccc3)CC1)CNC2
InChIInChI=1S/C17H23N5/c1-20-13-19-15-11-18-12-16(17(15)20)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,13,16,18H,7-12H2,1H3
InChIKeyCULGRKJGFUZHHE-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.39
Rot. Bonds2

About 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 84743991) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID84743991
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(N1CCN(c3ccccc3)CC1)CNC2
InChIInChI=1S/C17H23N5/c1-20-13-19-15-11-18-12-16(17(15)20)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,13,16,18H,7-12H2,1H3
InChIKeyCULGRKJGFUZHHE-UHFFFAOYSA-N
XLogP1.39
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 84745602
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
CID 84743937
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine
CID 13462902
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
1-cycloheptyl-4-phenylpiperazine
CID 2846720
(3S)-1-(2-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 896564
3-(4-phenylpiperazin-1-yl)-4-pyridin-2-ylpiperidin-4-ol
CID 136561015
1-[4-methyl-5-(1-methylimidazol-2-yl)-1,2,4-triazol-3-yl]-4-phenylpiperazine
CID 136573945
(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol
CID 87937359
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 84743991) is 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1cnc2c1C(N1CCN(c3ccccc3)CC1)CNC2.
What is the InChIKey of 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is CULGRKJGFUZHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-20-13-19-15-11-18-12-16(17(15)20)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,13,16,18H,7-12H2,1H3.
What are the key properties of 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 297.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 84743991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).