1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C24H32N2O2 — CID 90335283

IUPAC1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1
InChIInChI=1S/C24H32N2O2/c27-23(18-26-13-10-21-8-4-5-9-22(21)17-26)19-28-24-11-14-25(15-12-24)16-20-6-2-1-3-7-20/h1-9,23-24,27H,10-19H2
InChIKeyCIBTWVSNFZEMDZ-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.09
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 90335283) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID90335283
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1
InChIInChI=1S/C24H32N2O2/c27-23(18-26-13-10-21-8-4-5-9-22(21)17-26)19-28-24-11-14-25(15-12-24)16-20-6-2-1-3-7-20/h1-9,23-24,27H,10-19H2
InChIKeyCIBTWVSNFZEMDZ-UHFFFAOYSA-N
XLogP3.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzylpiperidin-4-yl)oxy-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

(2R)-1-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol
CID 97348009
1-[4-(Diphenylmethyl)-1-piperazinyl]-3-isopropoxy-2-propanol dihydrochloride
CID 16189400
1-(benzyloxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 2882945
1-(cyclopentyloxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 44117049
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((1-phenylpiperidin-3-yl)oxy)propan-2-ol
CID 90335082
1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335086
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol
CID 90335089
1-(cyclohexylmethoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 90335143
1-(cyclopropylmethoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 90335147
tert-Butyl 4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)piperidine-1-carboxylate, AldrichCPR
CID 90335178
1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335203
tert-butyl 3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)piperidine-1-carboxylate
CID 90335261

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 90335283) is 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is OC(COC1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is CIBTWVSNFZEMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-23(18-26-13-10-21-8-4-5-9-22(21)17-26)19-28-24-11-14-25(15-12-24)16-20-6-2-1-3-7-20/h1-9,23-24,27H,10-19H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 380.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 90335283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).