ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole

C26H30FN5 — CID 143981207

IUPACethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole
SMILESC=C.Cc1ccccc1-n1nccn1.Fc1cccc2c(CC3CCCNC3)ccnc12
InChIInChI=1S/C15H17FN2.C9H9N3.C2H4/c16-14-5-1-4-13-12(6-8-18-15(13)14)9-11-3-2-7-17-10-11;1-8-4-2-3-5-9(8)12-10-6-7-11-12;1-2/h1,4-6,8,11,17H,2-3,7,9-10H2;2-7H,1H3;1-2H2
InChIKeyVTBZMDUACPXJFH-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.29
Rot. Bonds3

About ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole

ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole (PubChem CID 143981207) has the molecular formula C26H30FN5 and a molecular weight of 431.56 g/mol. Its IUPAC name is ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole.

Molecular Properties

Compound Nameethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole
PubChem CID143981207
Molecular FormulaC26H30FN5
Molecular Weight431.56 g/mol
Exact Mass431.25
IUPAC Nameethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole
SMILESC=C.Cc1ccccc1-n1nccn1.Fc1cccc2c(CC3CCCNC3)ccnc12
InChIInChI=1S/C15H17FN2.C9H9N3.C2H4/c16-14-5-1-4-13-12(6-8-18-15(13)14)9-11-3-2-7-17-10-11;1-8-4-2-3-5-9(8)12-10-6-7-11-12;1-2/h1,4-6,8,11,17H,2-3,7,9-10H2;2-7H,1H3;1-2H2
InChIKeyVTBZMDUACPXJFH-UHFFFAOYSA-N
XLogP5.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164076
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine
CID 117358223
7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole
CID 84796113
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625
8-fluoro-4-piperidin-3-ylquinazoline
CID 105489373
7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole
CID 84693586
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520

Frequently Asked Questions

What is the IUPAC name of ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole?
The IUPAC name of ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole (CID 143981207) is ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole.
What is the SMILES notation for ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole?
The canonical SMILES for ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole is C=C.Cc1ccccc1-n1nccn1.Fc1cccc2c(CC3CCCNC3)ccnc12.
What is the InChIKey of ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole?
The InChIKey is VTBZMDUACPXJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2.C9H9N3.C2H4/c16-14-5-1-4-13-12(6-8-18-15(13)14)9-11-3-2-7-17-10-11;1-8-4-2-3-5-9(8)12-10-6-7-11-12;1-2/h1,4-6,8,11,17H,2-3,7,9-10H2;2-7H,1H3;1-2H2.
What are the key properties of ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole?
ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole has a molecular weight of 431.56 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole is sourced from PubChem (CID 143981207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).