5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride

C23H26ClN3 — CID 45488194

IUPAC5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride
SMILESC1=C(c2ccc(CN3CCCCC3)cc2)N2CCN=C2c2ccccc21.Cl
InChIInChI=1S/C23H25N3.ClH/c1-4-13-25(14-5-1)17-18-8-10-19(11-9-18)22-16-20-6-2-3-7-21(20)23-24-12-15-26(22)23;/h2-3,6-11,16H,1,4-5,12-15,17H2;1H
InChIKeyNPSKVSYUZGEBCS-UHFFFAOYSA-N
MW379.94 g/mol
LogP4.67
Rot. Bonds3

About 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride

5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride (PubChem CID 45488194) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride.

Molecular Properties

Compound Name5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride
PubChem CID45488194
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride
SMILESC1=C(c2ccc(CN3CCCCC3)cc2)N2CCN=C2c2ccccc21.Cl
InChIInChI=1S/C23H25N3.ClH/c1-4-13-25(14-5-1)17-18-8-10-19(11-9-18)22-16-20-6-2-3-7-21(20)23-24-12-15-26(22)23;/h2-3,6-11,16H,1,4-5,12-15,17H2;1H
InChIKeyNPSKVSYUZGEBCS-UHFFFAOYSA-N
XLogP4.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.94
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Sdz 62-434
CID 130786
5-(2-Fluoro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015659
SDZ-62-434 free
CID 9801987
5-(4-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10065779
7-butyl-6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10070778
6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10567444
7-benzyl-6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10695037
[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane
CID 10735359
6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 11793166
7-butyl-6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 11793675
5-(4-Trimethylsilanyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 9973198
5-p-Tolyl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015480

Frequently Asked Questions

What is the IUPAC name of 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride?
The IUPAC name of 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride (CID 45488194) is 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride.
What is the SMILES notation for 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride?
The canonical SMILES for 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride is C1=C(c2ccc(CN3CCCCC3)cc2)N2CCN=C2c2ccccc21.Cl.
What is the InChIKey of 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride?
The InChIKey is NPSKVSYUZGEBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3.ClH/c1-4-13-25(14-5-1)17-18-8-10-19(11-9-18)22-16-20-6-2-3-7-21(20)23-24-12-15-26(22)23;/h2-3,6-11,16H,1,4-5,12-15,17H2;1H.
What are the key properties of 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride?
5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride has a molecular weight of 379.94 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride is sourced from PubChem (CID 45488194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).