1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol

C16H21N3O — CID 106540698

IUPAC1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol
SMILESNCCC1CCN(c2nccc3ccc(O)cc23)CC1
InChIInChI=1S/C16H21N3O/c17-7-3-12-5-9-19(10-6-12)16-15-11-14(20)2-1-13(15)4-8-18-16/h1-2,4,8,11-12,20H,3,5-7,9-10,17H2
InChIKeyQBHFABMSVUBRSM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.51
Rot. Bonds3

About 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol

1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol (PubChem CID 106540698) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol
PubChem CID106540698
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol
SMILESNCCC1CCN(c2nccc3ccc(O)cc23)CC1
InChIInChI=1S/C16H21N3O/c17-7-3-12-5-9-19(10-6-12)16-15-11-14(20)2-1-13(15)4-8-18-16/h1-2,4,8,11-12,20H,3,5-7,9-10,17H2
InChIKeyQBHFABMSVUBRSM-UHFFFAOYSA-N
XLogP2.51
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol?
The IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol (CID 106540698) is 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol.
What is the SMILES notation for 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol?
The canonical SMILES for 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol is NCCC1CCN(c2nccc3ccc(O)cc23)CC1.
What is the InChIKey of 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol?
The InChIKey is QBHFABMSVUBRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-7-3-12-5-9-19(10-6-12)16-15-11-14(20)2-1-13(15)4-8-18-16/h1-2,4,8,11-12,20H,3,5-7,9-10,17H2.
What are the key properties of 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol?
1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol has a molecular weight of 271.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol is sourced from PubChem (CID 106540698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).