4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride

C21H23ClN2O — CID 162318656

IUPAC4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride
SMILESCl.c1ccc(Cc2cncc3ccc(OC4CCNCC4)cc23)cc1
InChIInChI=1S/C21H22N2O.ClH/c1-2-4-16(5-3-1)12-18-15-23-14-17-6-7-20(13-21(17)18)24-19-8-10-22-11-9-19;/h1-7,13-15,19,22H,8-12H2;1H
InChIKeyUIPGYYWHCPOZIQ-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.38
Rot. Bonds4

About 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride

4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride (PubChem CID 162318656) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride
PubChem CID162318656
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride
SMILESCl.c1ccc(Cc2cncc3ccc(OC4CCNCC4)cc23)cc1
InChIInChI=1S/C21H22N2O.ClH/c1-2-4-16(5-3-1)12-18-15-23-14-17-6-7-20(13-21(17)18)24-19-8-10-22-11-9-19;/h1-7,13-15,19,22H,8-12H2;1H
InChIKeyUIPGYYWHCPOZIQ-UHFFFAOYSA-N
XLogP4.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride?
The IUPAC name of 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride (CID 162318656) is 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride.
What is the SMILES notation for 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride?
The canonical SMILES for 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride is Cl.c1ccc(Cc2cncc3ccc(OC4CCNCC4)cc23)cc1.
What is the InChIKey of 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride?
The InChIKey is UIPGYYWHCPOZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O.ClH/c1-2-4-16(5-3-1)12-18-15-23-14-17-6-7-20(13-21(17)18)24-19-8-10-22-11-9-19;/h1-7,13-15,19,22H,8-12H2;1H.
What are the key properties of 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride?
4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride is sourced from PubChem (CID 162318656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).