isoquinolin-5-yl(piperidin-2-yl)methanol

C15H18N2O — CID 106634641

IUPACisoquinolin-5-yl(piperidin-2-yl)methanol
SMILESOC(c1cccc2cnccc12)C1CCCCN1
InChIInChI=1S/C15H18N2O/c18-15(14-6-1-2-8-17-14)13-5-3-4-11-10-16-9-7-12(11)13/h3-5,7,9-10,14-15,17-18H,1-2,6,8H2
InChIKeyQRNPMCODCXTELG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.41
Rot. Bonds2

About isoquinolin-5-yl(piperidin-2-yl)methanol

isoquinolin-5-yl(piperidin-2-yl)methanol (PubChem CID 106634641) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is isoquinolin-5-yl(piperidin-2-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-5-yl(piperidin-2-yl)methanol
PubChem CID106634641
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Nameisoquinolin-5-yl(piperidin-2-yl)methanol
SMILESOC(c1cccc2cnccc12)C1CCCCN1
InChIInChI=1S/C15H18N2O/c18-15(14-6-1-2-8-17-14)13-5-3-4-11-10-16-9-7-12(11)13/h3-5,7,9-10,14-15,17-18H,1-2,6,8H2
InChIKeyQRNPMCODCXTELG-UHFFFAOYSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-5-yl(thiolan-3-yl)methanol
CID 105094590
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
1,4-dioxan-2-yl(isoquinolin-5-yl)methanol
CID 65350917
pyridin-3-yl(pyrrolidin-2-yl)methanol
CID 22605701
1-isoquinolin-5-yl-3-sulfanylpropane-1,2-diol
CID 170820096
(2-amino-3-pyridinyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654106
4-bromo-1-isoquinolin-5-ylbutane-1,2-diol
CID 171892229
(2-amino-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639861
(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
CID 79972222
N-methyl-1-naphthalen-1-yl-1-piperidin-2-ylmethanamine
CID 116951227
5-(3-propan-2-yl-1,4-diazepan-1-yl)isoquinoline
CID 64942773

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl(piperidin-2-yl)methanol?
The IUPAC name of isoquinolin-5-yl(piperidin-2-yl)methanol (CID 106634641) is isoquinolin-5-yl(piperidin-2-yl)methanol.
What is the SMILES notation for isoquinolin-5-yl(piperidin-2-yl)methanol?
The canonical SMILES for isoquinolin-5-yl(piperidin-2-yl)methanol is OC(c1cccc2cnccc12)C1CCCCN1.
What is the InChIKey of isoquinolin-5-yl(piperidin-2-yl)methanol?
The InChIKey is QRNPMCODCXTELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(14-6-1-2-8-17-14)13-5-3-4-11-10-16-9-7-12(11)13/h3-5,7,9-10,14-15,17-18H,1-2,6,8H2.
What are the key properties of isoquinolin-5-yl(piperidin-2-yl)methanol?
isoquinolin-5-yl(piperidin-2-yl)methanol has a molecular weight of 242.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl(piperidin-2-yl)methanol is sourced from PubChem (CID 106634641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).