6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine

C23H27N3O — CID 68876174

IUPAC6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine
SMILESNc1nccc2cc(OC3CCCN(CCCc4ccccc4)C3)ccc12
InChIInChI=1S/C23H27N3O/c24-23-22-11-10-20(16-19(22)12-13-25-23)27-21-9-5-15-26(17-21)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13,16,21H,4-5,8-9,14-15,17H2,(H2,24,25)
InChIKeyFWRVUVJUOQCOBM-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.29
Rot. Bonds6

About 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine

6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine (PubChem CID 68876174) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine.

Molecular Properties

Compound Name6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine
PubChem CID68876174
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine
SMILESNc1nccc2cc(OC3CCCN(CCCc4ccccc4)C3)ccc12
InChIInChI=1S/C23H27N3O/c24-23-22-11-10-20(16-19(22)12-13-25-23)27-21-9-5-15-26(17-21)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13,16,21H,4-5,8-9,14-15,17H2,(H2,24,25)
InChIKeyFWRVUVJUOQCOBM-UHFFFAOYSA-N
XLogP4.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine?
The IUPAC name of 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine (CID 68876174) is 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine.
What is the SMILES notation for 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine?
The canonical SMILES for 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine is Nc1nccc2cc(OC3CCCN(CCCc4ccccc4)C3)ccc12.
What is the InChIKey of 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine?
The InChIKey is FWRVUVJUOQCOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c24-23-22-11-10-20(16-19(22)12-13-25-23)27-21-9-5-15-26(17-21)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13,16,21H,4-5,8-9,14-15,17H2,(H2,24,25).
What are the key properties of 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine?
6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine has a molecular weight of 361.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine is sourced from PubChem (CID 68876174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).