7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride

C22H29ClN2O — CID 119932291

IUPAC7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccc2c(c1)CN(CC1CCNCC1)C(c1ccccc1)C2.Cl
InChIInChI=1S/C22H28N2O.ClH/c1-25-21-8-7-19-14-22(18-5-3-2-4-6-18)24(16-20(19)13-21)15-17-9-11-23-12-10-17;/h2-8,13,17,22-23H,9-12,14-16H2,1H3;1H
InChIKeyOHDOSLDZPOXYGI-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.22
Rot. Bonds4

About 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride

7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 119932291) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID119932291
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccc2c(c1)CN(CC1CCNCC1)C(c1ccccc1)C2.Cl
InChIInChI=1S/C22H28N2O.ClH/c1-25-21-8-7-19-14-22(18-5-3-2-4-6-18)24(16-20(19)13-21)15-17-9-11-23-12-10-17;/h2-8,13,17,22-23H,9-12,14-16H2,1H3;1H
InChIKeyOHDOSLDZPOXYGI-UHFFFAOYSA-N
XLogP4.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 119932291) is 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride is COc1ccc2c(c1)CN(CC1CCNCC1)C(c1ccccc1)C2.Cl.
What is the InChIKey of 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is OHDOSLDZPOXYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.ClH/c1-25-21-8-7-19-14-22(18-5-3-2-4-6-18)24(16-20(19)13-21)15-17-9-11-23-12-10-17;/h2-8,13,17,22-23H,9-12,14-16H2,1H3;1H.
What are the key properties of 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 119932291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).