1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine

C17H22FN3 — CID 63249000

IUPAC1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccc(F)c3cccnc23)CC1
InChIInChI=1S/C17H22FN3/c1-19-11-13-6-9-21(10-7-13)12-14-4-5-16(18)15-3-2-8-20-17(14)15/h2-5,8,13,19H,6-7,9-12H2,1H3
InChIKeyXURDXCCLQZOLKP-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.81
Rot. Bonds4

About 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 63249000) 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-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID63249000
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccc(F)c3cccnc23)CC1
InChIInChI=1S/C17H22FN3/c1-19-11-13-6-9-21(10-7-13)12-14-4-5-16(18)15-3-2-8-20-17(14)15/h2-5,8,13,19H,6-7,9-12H2,1H3
InChIKeyXURDXCCLQZOLKP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63250206
5-fluoro-8-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline
CID 37385220
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
CID 42957454
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56812503
2-[(5-fluoroquinolin-8-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234559
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
8-[[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-fluoroquinoline
CID 86895318
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 63249000) is 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(Cc2ccc(F)c3cccnc23)CC1.
What is the InChIKey of 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is XURDXCCLQZOLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-19-11-13-6-9-21(10-7-13)12-14-4-5-16(18)15-3-2-8-20-17(14)15/h2-5,8,13,19H,6-7,9-12H2,1H3.
What are the key properties of 1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 287.38 g/mol, XLogP of 2.81, 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-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63249000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).