4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine

C20H21FN6 — CID 154794427

IUPAC4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine
SMILESFc1cccc(-c2ncnc(NC3CCN(Cc4cccnc4)CC3)n2)c1
InChIInChI=1S/C20H21FN6/c21-17-5-1-4-16(11-17)19-23-14-24-20(26-19)25-18-6-9-27(10-7-18)13-15-3-2-8-22-12-15/h1-5,8,11-12,14,18H,6-7,9-10,13H2,(H,23,24,25,26)
InChIKeyOYVUURKRBMWXNJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.15
Rot. Bonds5

About 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine

4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine (PubChem CID 154794427) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine
PubChem CID154794427
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine
SMILESFc1cccc(-c2ncnc(NC3CCN(Cc4cccnc4)CC3)n2)c1
InChIInChI=1S/C20H21FN6/c21-17-5-1-4-16(11-17)19-23-14-24-20(26-19)25-18-6-9-27(10-7-18)13-15-3-2-8-22-12-15/h1-5,8,11-12,14,18H,6-7,9-10,13H2,(H,23,24,25,26)
InChIKeyOYVUURKRBMWXNJ-UHFFFAOYSA-N
XLogP3.15
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylpyrimidin-2-amine
CID 24872409
2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 134108561
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75517321
2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432
5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248800
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606953
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536242

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine (CID 154794427) is 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine is Fc1cccc(-c2ncnc(NC3CCN(Cc4cccnc4)CC3)n2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine?
The InChIKey is OYVUURKRBMWXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c21-17-5-1-4-16(11-17)19-23-14-24-20(26-19)25-18-6-9-27(10-7-18)13-15-3-2-8-22-12-15/h1-5,8,11-12,14,18H,6-7,9-10,13H2,(H,23,24,25,26).
What are the key properties of 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine?
4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine has a molecular weight of 364.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 154794427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).