1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]

C21H26N2 — CID 122673116

IUPAC1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]
SMILESc1ccc(CCC2NCC3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C21H26N2/c1-2-6-17(7-3-1)10-11-20-18-8-4-5-9-19(18)21(16-23-20)12-14-22-15-13-21/h1-9,20,22-23H,10-16H2
InChIKeyFVHHEWJUXVQHTM-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.58
Rot. Bonds3

About 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]

1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine] (PubChem CID 122673116) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine].

Molecular Properties

Compound Name1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]
PubChem CID122673116
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]
SMILESc1ccc(CCC2NCC3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C21H26N2/c1-2-6-17(7-3-1)10-11-20-18-8-4-5-9-19(18)21(16-23-20)12-14-22-15-13-21/h1-9,20,22-23H,10-16H2
InChIKeyFVHHEWJUXVQHTM-UHFFFAOYSA-N
XLogP3.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine] 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 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]?
The IUPAC name of 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine] (CID 122673116) is 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine].
What is the SMILES notation for 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]?
The canonical SMILES for 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine] is c1ccc(CCC2NCC3(CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]?
The InChIKey is FVHHEWJUXVQHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-6-17(7-3-1)10-11-20-18-8-4-5-9-19(18)21(16-23-20)12-14-22-15-13-21/h1-9,20,22-23H,10-16H2.
What are the key properties of 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]?
1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine] has a molecular weight of 306.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine] is sourced from PubChem (CID 122673116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).