1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine

C18H23N3 — CID 107037982

IUPAC1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine
SMILESc1cc2cc(CNC3CCN(C4CC4)CC3)ccc2cn1
InChIInChI=1S/C18H23N3/c1-2-16-13-19-8-5-15(16)11-14(1)12-20-17-6-9-21(10-7-17)18-3-4-18/h1-2,5,8,11,13,17-18,20H,3-4,6-7,9-10,12H2
InChIKeyBMANKVMNDRCQTJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.95
Rot. Bonds4

About 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine

1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine (PubChem CID 107037982) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine
PubChem CID107037982
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine
SMILESc1cc2cc(CNC3CCN(C4CC4)CC3)ccc2cn1
InChIInChI=1S/C18H23N3/c1-2-16-13-19-8-5-15(16)11-14(1)12-20-17-6-9-21(10-7-17)18-3-4-18/h1-2,5,8,11,13,17-18,20H,3-4,6-7,9-10,12H2
InChIKeyBMANKVMNDRCQTJ-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine (CID 107037982) is 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine is c1cc2cc(CNC3CCN(C4CC4)CC3)ccc2cn1.
What is the InChIKey of 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine?
The InChIKey is BMANKVMNDRCQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-16-13-19-8-5-15(16)11-14(1)12-20-17-6-9-21(10-7-17)18-3-4-18/h1-2,5,8,11,13,17-18,20H,3-4,6-7,9-10,12H2.
What are the key properties of 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine?
1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 107037982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).