[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone

C22H26N2O — CID 21240902

IUPAC[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone
SMILESCN1CCc2ccccc2C1C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c1-23-14-11-17-7-5-6-10-20(17)21(23)18-12-15-24(16-13-18)22(25)19-8-3-2-4-9-19/h2-10,18,21H,11-16H2,1H3
InChIKeyFFGVBZZNFFWPCI-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.77
Rot. Bonds2

About [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone

[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 21240902) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone
PubChem CID21240902
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone
SMILESCN1CCc2ccccc2C1C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c1-23-14-11-17-7-5-6-10-20(17)21(23)18-12-15-24(16-13-18)22(25)19-8-3-2-4-9-19/h2-10,18,21H,11-16H2,1H3
InChIKeyFFGVBZZNFFWPCI-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 5263828
[(3aS,8aS)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-phenylmethanone
CID 124819285
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
[(4S,5S)-4-hydroxy-5-(4-methyl-1,4-diazepan-1-yl)azepan-1-yl]-phenylmethanone
CID 110128311
[(1R)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 92762278
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 110288908

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone (CID 21240902) is [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone is CN1CCc2ccccc2C1C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is FFGVBZZNFFWPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23-14-11-17-7-5-6-10-20(17)21(23)18-12-15-24(16-13-18)22(25)19-8-3-2-4-9-19/h2-10,18,21H,11-16H2,1H3.
What are the key properties of [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone?
[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 334.46 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 21240902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).