6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C15H27N5 — CID 79360455

IUPAC6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)CN1CCN(CC2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C15H27N5/c1-12(2)9-19-3-5-20(6-4-19)10-13-7-14-15(8-16-13)18-11-17-14/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyINVKFEOYRONZFN-UHFFFAOYSA-N
MW277.42 g/mol
LogP0.70
Rot. Bonds4

About 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 79360455) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID79360455
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)CN1CCN(CC2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C15H27N5/c1-12(2)9-19-3-5-20(6-4-19)10-13-7-14-15(8-16-13)18-11-17-14/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyINVKFEOYRONZFN-UHFFFAOYSA-N
XLogP0.70
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 79360455) is 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CC(C)CN1CCN(CC2Cc3nc[nH]c3CN2)CC1.
What is the InChIKey of 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is INVKFEOYRONZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12(2)9-19-3-5-20(6-4-19)10-13-7-14-15(8-16-13)18-11-17-14/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 277.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 79360455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).