[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol

C17H22N2O — CID 61254969

IUPAC[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
SMILESCCC1CCCCN1c1nc(CO)cc2ccccc12
InChIInChI=1S/C17H22N2O/c1-2-15-8-5-6-10-19(15)17-16-9-4-3-7-13(16)11-14(12-20)18-17/h3-4,7,9,11,15,20H,2,5-6,8,10,12H2,1H3
InChIKeyAIQUZPYZKDMJNT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds3

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

[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol (PubChem CID 61254969) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
PubChem CID61254969
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
SMILESCCC1CCCCN1c1nc(CO)cc2ccccc12
InChIInChI=1S/C17H22N2O/c1-2-15-8-5-6-10-19(15)17-16-9-4-3-7-13(16)11-14(12-20)18-17/h3-4,7,9,11,15,20H,2,5-6,8,10,12H2,1H3
InChIKeyAIQUZPYZKDMJNT-UHFFFAOYSA-N
XLogP3.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol
CID 63633971
1-[2-(hydroxymethyl)piperidin-1-yl]isoquinoline-3-carboxylic acid
CID 61407165
[1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol
CID 65467106
[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
CID 102885836
5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
CID 8933021
[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 114594753
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
CID 107079898
[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159
[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol
CID 81208016
2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
CID 63445345
1-[2-(chloromethyl)piperidin-1-yl]phthalazine
CID 63392073

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol?
The IUPAC name of [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol (CID 61254969) is [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol?
The canonical SMILES for [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol is CCC1CCCCN1c1nc(CO)cc2ccccc12.
What is the InChIKey of [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol?
The InChIKey is AIQUZPYZKDMJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-15-8-5-6-10-19(15)17-16-9-4-3-7-13(16)11-14(12-20)18-17/h3-4,7,9,11,15,20H,2,5-6,8,10,12H2,1H3.
What are the key properties of [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol?
[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol is sourced from PubChem (CID 61254969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).