6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine

C17H19BrFN3O — CID 177267715

IUPAC6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine
SMILESFc1cc(Br)ccc1OCc1cccc(NC2CCNCC2)n1
InChIInChI=1S/C17H19BrFN3O/c18-12-4-5-16(15(19)10-12)23-11-14-2-1-3-17(22-14)21-13-6-8-20-9-7-13/h1-5,10,13,20H,6-9,11H2,(H,21,22)
InChIKeyKYRVXPJMGOORHO-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.73
Rot. Bonds5

About 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine

6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine (PubChem CID 177267715) has the molecular formula C17H19BrFN3O and a molecular weight of 380.26 g/mol. Its IUPAC name is 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine
PubChem CID177267715
Molecular FormulaC17H19BrFN3O
Molecular Weight380.26 g/mol
Exact Mass379.07
IUPAC Name6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine
SMILESFc1cc(Br)ccc1OCc1cccc(NC2CCNCC2)n1
InChIInChI=1S/C17H19BrFN3O/c18-12-4-5-16(15(19)10-12)23-11-14-2-1-3-17(22-14)21-13-6-8-20-9-7-13/h1-5,10,13,20H,6-9,11H2,(H,21,22)
InChIKeyKYRVXPJMGOORHO-UHFFFAOYSA-N
XLogP3.73
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-ethoxy-N-(6-methylpyridin-2-yl)pyridin-2-amine
CID 11415580
2-(4-bromophenoxy)-N-(6-methylpyridin-2-yl)acetamide
CID 795956
4-[4-(4-Bromophenoxy)-3,5,6-trifluoropyridin-2-yl]morpholine
CID 4183867
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
CID 71976593
N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
CID 75428443
3-Bromo-2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine
CID 67245263
3-Bromo-2-[4-(2-fluorophenoxy)piperidin-1-yl]pyridine
CID 67245866
3-Bromo-2-[4-(4-fluorophenoxy)-1-piperidinyl]pyridine
CID 67246112
6-[(2,6-difluorophenoxy)methyl]-N-methylpyridin-2-amine
CID 81269338
2-Bromo-6-(3-(4-fluorophenoxy)azetidin-1-yl)pyridine
CID 86685247
N-[2-(4-fluorophenoxy)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
CID 139464036
3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 164562831

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine?
The IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine (CID 177267715) is 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine is Fc1cc(Br)ccc1OCc1cccc(NC2CCNCC2)n1.
What is the InChIKey of 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine?
The InChIKey is KYRVXPJMGOORHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O/c18-12-4-5-16(15(19)10-12)23-11-14-2-1-3-17(22-14)21-13-6-8-20-9-7-13/h1-5,10,13,20H,6-9,11H2,(H,21,22).
What are the key properties of 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine?
6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine has a molecular weight of 380.26 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine is sourced from PubChem (CID 177267715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).