N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine

C19H21N3S — CID 10381549

IUPACN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
SMILESc1csc(CN2CCCC(Nc3cccc4cnccc34)C2)c1
InChIInChI=1S/C19H21N3S/c1-4-15-12-20-9-8-18(15)19(7-1)21-16-5-2-10-22(13-16)14-17-6-3-11-23-17/h1,3-4,6-9,11-12,16,21H,2,5,10,13-14H2
InChIKeyFDVFHSXAIWRZBY-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine

N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine (PubChem CID 10381549) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
PubChem CID10381549
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
SMILESc1csc(CN2CCCC(Nc3cccc4cnccc34)C2)c1
InChIInChI=1S/C19H21N3S/c1-4-15-12-20-9-8-18(15)19(7-1)21-16-5-2-10-22(13-16)14-17-6-3-11-23-17/h1,3-4,6-9,11-12,16,21H,2,5,10,13-14H2
InChIKeyFDVFHSXAIWRZBY-UHFFFAOYSA-N
XLogP4.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine (CID 10381549) is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine is c1csc(CN2CCCC(Nc3cccc4cnccc34)C2)c1.
What is the InChIKey of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?
The InChIKey is FDVFHSXAIWRZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-4-15-12-20-9-8-18(15)19(7-1)21-16-5-2-10-22(13-16)14-17-6-3-11-23-17/h1,3-4,6-9,11-12,16,21H,2,5,10,13-14H2.
What are the key properties of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine has a molecular weight of 323.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 10381549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).