2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]

C22H28N2 — CID 122673114

IUPAC2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESCN1CC2(CCNCC2)c2ccccc2C1CCc1ccccc1
InChIInChI=1S/C22H28N2/c1-24-17-22(13-15-23-16-14-22)20-10-6-5-9-19(20)21(24)12-11-18-7-3-2-4-8-18/h2-10,21,23H,11-17H2,1H3
InChIKeyHMQJRDPRKBDPLU-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.93
Rot. Bonds3

About 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]

2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] (PubChem CID 122673114) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine].

Molecular Properties

Compound Name2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
PubChem CID122673114
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESCN1CC2(CCNCC2)c2ccccc2C1CCc1ccccc1
InChIInChI=1S/C22H28N2/c1-24-17-22(13-15-23-16-14-22)20-10-6-5-9-19(20)21(24)12-11-18-7-3-2-4-8-18/h2-10,21,23H,11-17H2,1H3
InChIKeyHMQJRDPRKBDPLU-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The IUPAC name of 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] (CID 122673114) is 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine].
What is the SMILES notation for 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The canonical SMILES for 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] is CN1CC2(CCNCC2)c2ccccc2C1CCc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The InChIKey is HMQJRDPRKBDPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-24-17-22(13-15-23-16-14-22)20-10-6-5-9-19(20)21(24)12-11-18-7-3-2-4-8-18/h2-10,21,23H,11-17H2,1H3.
What are the key properties of 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] has a molecular weight of 320.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] is sourced from PubChem (CID 122673114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).