2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone

C23H28N2O2 — CID 121350884

IUPAC2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
SMILESO=C(CO)N1CCc2ccccc2C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C23H28N2O2/c26-18-22(27)25-15-11-20-8-4-5-9-21(20)23(25)12-16-24(17-13-23)14-10-19-6-2-1-3-7-19/h1-9,26H,10-18H2
InChIKeyHYZXQDSNYAGNES-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.60
Rot. Bonds4

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

2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone (PubChem CID 121350884) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
PubChem CID121350884
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
SMILESO=C(CO)N1CCc2ccccc2C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C23H28N2O2/c26-18-22(27)25-15-11-20-8-4-5-9-21(20)23(25)12-16-24(17-13-23)14-10-19-6-2-1-3-7-19/h1-9,26H,10-18H2
InChIKeyHYZXQDSNYAGNES-UHFFFAOYSA-N
XLogP2.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121359978
1-(1'-benzylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)-2,2,2-trifluoroethanone
CID 121359829
4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]pyridine-2-carbonitrile
CID 121359805
N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide
CID 121350945
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359940
tert-butyl N-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-N-methylcarbamate
CID 121359639
1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 54482081
cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72906459
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 26336960
2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride
CID 118742012
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone (CID 121350884) is 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone is O=C(CO)N1CCc2ccccc2C12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone?
The InChIKey is HYZXQDSNYAGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-18-22(27)25-15-11-20-8-4-5-9-21(20)23(25)12-16-24(17-13-23)14-10-19-6-2-1-3-7-19/h1-9,26H,10-18H2.
What are the key properties of 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone?
2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone is sourced from PubChem (CID 121350884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).