1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine

C17H22FN3 — CID 63250206

IUPAC1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C17H22FN3/c1-19-11-14-5-2-3-10-21(14)12-13-7-8-16(18)15-6-4-9-20-17(13)15/h4,6-9,14,19H,2-3,5,10-12H2,1H3
InChIKeyZDGWPGVRDYETQB-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.95
Rot. Bonds4

About 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 63250206) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID63250206
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C17H22FN3/c1-19-11-14-5-2-3-10-21(14)12-13-7-8-16(18)15-6-4-9-20-17(13)15/h4,6-9,14,19H,2-3,5,10-12H2,1H3
InChIKeyZDGWPGVRDYETQB-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63249000
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
CID 55168734
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249454
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
2-[(5-fluoroquinolin-8-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234559
5-fluoro-8-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline
CID 37385220
N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 113328848
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184
3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol
CID 74230838

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine (CID 63250206) is 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1Cc1ccc(F)c2cccnc12.
What is the InChIKey of 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is ZDGWPGVRDYETQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-19-11-14-5-2-3-10-21(14)12-13-7-8-16(18)15-6-4-9-20-17(13)15/h4,6-9,14,19H,2-3,5,10-12H2,1H3.
What are the key properties of 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 287.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63250206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).