1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine

C18H25N3 — CID 62825481

IUPAC1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
SMILESCCN1CCC(CNCc2cccc3cnccc23)CC1
InChIInChI=1S/C18H25N3/c1-2-21-10-7-15(8-11-21)12-20-14-17-5-3-4-16-13-19-9-6-18(16)17/h3-6,9,13,15,20H,2,7-8,10-12,14H2,1H3
InChIKeyQENXPINNINWKFB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.06
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine

1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine (PubChem CID 62825481) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
PubChem CID62825481
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
SMILESCCN1CCC(CNCc2cccc3cnccc23)CC1
InChIInChI=1S/C18H25N3/c1-2-21-10-7-15(8-11-21)12-20-14-17-5-3-4-16-13-19-9-6-18(16)17/h3-6,9,13,15,20H,2,7-8,10-12,14H2,1H3
InChIKeyQENXPINNINWKFB-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine (CID 62825481) is 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine is CCN1CCC(CNCc2cccc3cnccc23)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine?
The InChIKey is QENXPINNINWKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-21-10-7-15(8-11-21)12-20-14-17-5-3-4-16-13-19-9-6-18(16)17/h3-6,9,13,15,20H,2,7-8,10-12,14H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine?
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine is sourced from PubChem (CID 62825481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).