2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol

C24H32N2O2 — CID 69311695

IUPAC2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1CCc2cc(O)ccc2C1Cc1ccc(OCCC2CCCCN2)cc1
InChIInChI=1S/C24H32N2O2/c1-26-14-11-19-17-21(27)7-10-23(19)24(26)16-18-5-8-22(9-6-18)28-15-12-20-4-2-3-13-25-20/h5-10,17,20,24-25,27H,2-4,11-16H2,1H3
InChIKeyFLXMJFKKVXLOGP-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.07
Rot. Bonds6

About 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol

2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 69311695) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID69311695
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1CCc2cc(O)ccc2C1Cc1ccc(OCCC2CCCCN2)cc1
InChIInChI=1S/C24H32N2O2/c1-26-14-11-19-17-21(27)7-10-23(19)24(26)16-18-5-8-22(9-6-18)28-15-12-20-4-2-3-13-25-20/h5-10,17,20,24-25,27H,2-4,11-16H2,1H3
InChIKeyFLXMJFKKVXLOGP-UHFFFAOYSA-N
XLogP4.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 69311695) is 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol is CN1CCc2cc(O)ccc2C1Cc1ccc(OCCC2CCCCN2)cc1.
What is the InChIKey of 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is FLXMJFKKVXLOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-26-14-11-19-17-21(27)7-10-23(19)24(26)16-18-5-8-22(9-6-18)28-15-12-20-4-2-3-13-25-20/h5-10,17,20,24-25,27H,2-4,11-16H2,1H3.
What are the key properties of 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 380.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 69311695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).