[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol

C18H24N2O — CID 114594753

IUPAC[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol
SMILESCC1CC(C)C(C)N(c2nc(CO)cc3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-12-8-13(2)14(3)20(10-12)18-17-7-5-4-6-15(17)9-16(11-21)19-18/h4-7,9,12-14,21H,8,10-11H2,1-3H3
InChIKeyKUKSYXJBVLEYMM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.60
Rot. Bonds2

About [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol

[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol (PubChem CID 114594753) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol
PubChem CID114594753
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol
SMILESCC1CC(C)C(C)N(c2nc(CO)cc3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-12-8-13(2)14(3)20(10-12)18-17-7-5-4-6-15(17)9-16(11-21)19-18/h4-7,9,12-14,21H,8,10-11H2,1-3H3
InChIKeyKUKSYXJBVLEYMM-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol?
The IUPAC name of [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol (CID 114594753) is [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol?
The canonical SMILES for [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol is CC1CC(C)C(C)N(c2nc(CO)cc3ccccc23)C1.
What is the InChIKey of [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol?
The InChIKey is KUKSYXJBVLEYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-8-13(2)14(3)20(10-12)18-17-7-5-4-6-15(17)9-16(11-21)19-18/h4-7,9,12-14,21H,8,10-11H2,1-3H3.
What are the key properties of [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol?
[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol has a molecular weight of 284.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol is sourced from PubChem (CID 114594753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).