[1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol

C17H22N2O2 — CID 65467106

IUPAC[1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol
SMILESCN1CCCCC1COc1nc(CO)cc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-19-9-5-4-7-15(19)12-21-17-16-8-3-2-6-13(16)10-14(11-20)18-17/h2-3,6,8,10,15,20H,4-5,7,9,11-12H2,1H3
InChIKeyVVOJMGUUDQDWEZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.59
Rot. Bonds4

About [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol

[1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol (PubChem CID 65467106) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol
PubChem CID65467106
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol
SMILESCN1CCCCC1COc1nc(CO)cc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-19-9-5-4-7-15(19)12-21-17-16-8-3-2-6-13(16)10-14(11-20)18-17/h2-3,6,8,10,15,20H,4-5,7,9,11-12H2,1H3
InChIKeyVVOJMGUUDQDWEZ-UHFFFAOYSA-N
XLogP2.59
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1-methylpiperidin-2-yl)methoxy]quinazolin-2-yl]hydrazine
CID 80925569
[6-[(1-methylpiperidin-2-yl)methoxy]pyridazin-3-yl]methanol
CID 65467681
(1-cyclobutyloxyisoquinolin-3-yl)methanol
CID 62141040
[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 61254969
3-[(1-methylpiperidin-2-yl)methoxy]quinoxalin-2-amine
CID 102988241
[6-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 65471873
3-[3-(hydroxymethyl)isoquinolin-1-yl]oxypropan-1-ol
CID 61255721
[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]quinolin-2-yl]methanol
CID 79311164
[4-methyl-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-yl]methanol
CID 83184394
[6-methyl-2-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 65471691
[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
CID 61254873
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]isoquinolin-3-yl]methanol
CID 115942389

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol (CID 65467106) is [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol is CN1CCCCC1COc1nc(CO)cc2ccccc12.
What is the InChIKey of [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol?
The InChIKey is VVOJMGUUDQDWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-9-5-4-7-15(19)12-21-17-16-8-3-2-6-13(16)10-14(11-20)18-17/h2-3,6,8,10,15,20H,4-5,7,9,11-12H2,1H3.
What are the key properties of [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol?
[1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol is sourced from PubChem (CID 65467106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).