1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C24H32ClN3O — CID 167863025

IUPAC1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(CNC1CCN(Cc2ccccc2Cl)CC1)CN1CCc2ccccc2C1
InChIInChI=1S/C24H32ClN3O/c25-24-8-4-3-7-21(24)17-27-13-10-22(11-14-27)26-15-23(29)18-28-12-9-19-5-1-2-6-20(19)16-28/h1-8,22-23,26,29H,9-18H2
InChIKeyJISQPUFJGWFXGY-UHFFFAOYSA-N
MW413.99 g/mol
LogP3.31
Rot. Bonds7

About 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 167863025) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID167863025
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC Name1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(CNC1CCN(Cc2ccccc2Cl)CC1)CN1CCc2ccccc2C1
InChIInChI=1S/C24H32ClN3O/c25-24-8-4-3-7-21(24)17-27-13-10-22(11-14-27)26-15-23(29)18-28-12-9-19-5-1-2-6-20(19)16-28/h1-8,22-23,26,29H,9-18H2
InChIKeyJISQPUFJGWFXGY-UHFFFAOYSA-N
XLogP3.31
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764
(2S)-1-[(2,3-dichlorophenyl)methylamino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 38054750
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95979078
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
3-chloro-2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]benzonitrile
CID 133351346
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
2-chloro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 115903994
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]oxane-3-carboxamide
CID 122136771
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propane-1-sulfonamide
CID 111439886
1-[4-[(cyclopentylamino)methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 45174990

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 167863025) is 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is OC(CNC1CCN(Cc2ccccc2Cl)CC1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is JISQPUFJGWFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O/c25-24-8-4-3-7-21(24)17-27-13-10-22(11-14-27)26-15-23(29)18-28-12-9-19-5-1-2-6-20(19)16-28/h1-8,22-23,26,29H,9-18H2.
What are the key properties of 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 413.99 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 167863025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).