1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol

C16H21N3O — CID 106540925

IUPAC1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol
SMILESCCC1CN(c2nccc3ccc(O)cc23)CCC1N
InChIInChI=1S/C16H21N3O/c1-2-11-10-19(8-6-15(11)17)16-14-9-13(20)4-3-12(14)5-7-18-16/h3-5,7,9,11,15,20H,2,6,8,10,17H2,1H3
InChIKeyHRMGCSDPNGVNSP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol

1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol (PubChem CID 106540925) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol
PubChem CID106540925
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol
SMILESCCC1CN(c2nccc3ccc(O)cc23)CCC1N
InChIInChI=1S/C16H21N3O/c1-2-11-10-19(8-6-15(11)17)16-14-9-13(20)4-3-12(14)5-7-18-16/h3-5,7,9,11,15,20H,2,6,8,10,17H2,1H3
InChIKeyHRMGCSDPNGVNSP-UHFFFAOYSA-N
XLogP2.50
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol?
The IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol (CID 106540925) is 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol.
What is the SMILES notation for 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol?
The canonical SMILES for 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol is CCC1CN(c2nccc3ccc(O)cc23)CCC1N.
What is the InChIKey of 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol?
The InChIKey is HRMGCSDPNGVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-11-10-19(8-6-15(11)17)16-14-9-13(20)4-3-12(14)5-7-18-16/h3-5,7,9,11,15,20H,2,6,8,10,17H2,1H3.
What are the key properties of 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol?
1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol has a molecular weight of 271.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol is sourced from PubChem (CID 106540925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).