1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine

C20H27N3 — CID 68591563

IUPAC1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine
SMILESNc1ccc2c(C3CCN(C4CCCCC4)CC3)nccc2c1
InChIInChI=1S/C20H27N3/c21-17-6-7-19-16(14-17)8-11-22-20(19)15-9-12-23(13-10-15)18-4-2-1-3-5-18/h6-8,11,14-15,18H,1-5,9-10,12-13,21H2
InChIKeyDLXMSJHGCOIIAD-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.33
Rot. Bonds2

About 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine

1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine (PubChem CID 68591563) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine
PubChem CID68591563
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine
SMILESNc1ccc2c(C3CCN(C4CCCCC4)CC3)nccc2c1
InChIInChI=1S/C20H27N3/c21-17-6-7-19-16(14-17)8-11-22-20(19)15-9-12-23(13-10-15)18-4-2-1-3-5-18/h6-8,11,14-15,18H,1-5,9-10,12-13,21H2
InChIKeyDLXMSJHGCOIIAD-UHFFFAOYSA-N
XLogP4.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine (CID 68591563) is 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine is Nc1ccc2c(C3CCN(C4CCCCC4)CC3)nccc2c1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine?
The InChIKey is DLXMSJHGCOIIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c21-17-6-7-19-16(14-17)8-11-22-20(19)15-9-12-23(13-10-15)18-4-2-1-3-5-18/h6-8,11,14-15,18H,1-5,9-10,12-13,21H2.
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine?
1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine has a molecular weight of 309.46 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine is sourced from PubChem (CID 68591563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).