6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

C20H25FN4 — CID 70904122

IUPAC6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFCC1=CC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)CN=C1
InChIInChI=1S/C20H25FN4/c21-10-14-7-17(12-24-11-14)16-8-15-1-4-23-13-19(15)20(9-16)25-18-2-5-22-6-3-18/h1,7-9,11,13,17-18,22-23,25H,2-6,10,12H2
InChIKeyMBGXYQRLBRLLEH-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.04
Rot. Bonds4

About 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 70904122) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID70904122
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESFCC1=CC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)CN=C1
InChIInChI=1S/C20H25FN4/c21-10-14-7-17(12-24-11-14)16-8-15-1-4-23-13-19(15)20(9-16)25-18-2-5-22-6-3-18/h1,7-9,11,13,17-18,22-23,25H,2-6,10,12H2
InChIKeyMBGXYQRLBRLLEH-UHFFFAOYSA-N
XLogP1.04
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine with MolForge

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Related Compounds

6-Fluoro-3-[8-(piperidin-4-ylamino)-4a,8a-dihydroisoquinolin-6-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 70903849
6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903857
6-[6-(difluoromethyl)-3,4-dihydropyridin-4-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903858
6-(3-fluoro-1,2-dihydropyridin-4-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903865
6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903868
6-(4-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903871
6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903928
6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70904129
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(difluoromethyl)-3,4-dihydropyridin-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085330
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-5-fluoro-2,3-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085515
6-(6-fluoro-3,4-dihydropyridin-4-yl)-N-(1-sulfanylpiperidin-4-yl)-4a,8a-dihydroisoquinolin-8-amine
CID 89738468
6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 143968035

Frequently Asked Questions

What is the IUPAC name of 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 70904122) is 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is FCC1=CC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)CN=C1.
What is the InChIKey of 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is MBGXYQRLBRLLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c21-10-14-7-17(12-24-11-14)16-8-15-1-4-23-13-19(15)20(9-16)25-18-2-5-22-6-3-18/h1,7-9,11,13,17-18,22-23,25H,2-6,10,12H2.
What are the key properties of 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 340.45 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70904122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).