3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride

C13H23Cl2N3 — CID 23084146

IUPAC3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride
SMILESCl.Cl.c1nc2n(c1C1CCNCC1)CCCCC2
InChIInChI=1S/C13H21N3.2ClH/c1-2-4-13-15-10-12(16(13)9-3-1)11-5-7-14-8-6-11;;/h10-11,14H,1-9H2;2*1H
InChIKeyGLYTXHHTDSIMPG-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.92
Rot. Bonds1

About 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride

3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride (PubChem CID 23084146) has the molecular formula C13H23Cl2N3 and a molecular weight of 292.25 g/mol. Its IUPAC name is 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride
PubChem CID23084146
Molecular FormulaC13H23Cl2N3
Molecular Weight292.25 g/mol
Exact Mass291.13
IUPAC Name3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride
SMILESCl.Cl.c1nc2n(c1C1CCNCC1)CCCCC2
InChIInChI=1S/C13H21N3.2ClH/c1-2-4-13-15-10-12(16(13)9-3-1)11-5-7-14-8-6-11;;/h10-11,14H,1-9H2;2*1H
InChIKeyGLYTXHHTDSIMPG-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride?
The IUPAC name of 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride (CID 23084146) is 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride?
The canonical SMILES for 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride is Cl.Cl.c1nc2n(c1C1CCNCC1)CCCCC2.
What is the InChIKey of 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride?
The InChIKey is GLYTXHHTDSIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.2ClH/c1-2-4-13-15-10-12(16(13)9-3-1)11-5-7-14-8-6-11;;/h10-11,14H,1-9H2;2*1H.
What are the key properties of 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride?
3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride has a molecular weight of 292.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;dihydrochloride is sourced from PubChem (CID 23084146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).