4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol

C16H20FN3O — CID 136548281

IUPAC4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
SMILESCc1cc(N2CCC(O)(CN)CC2)c2cccc(F)c2n1
InChIInChI=1S/C16H20FN3O/c1-11-9-14(12-3-2-4-13(17)15(12)19-11)20-7-5-16(21,10-18)6-8-20/h2-4,9,21H,5-8,10,18H2,1H3
InChIKeyVDVAAGWTIWORHC-UHFFFAOYSA-N
MW289.35 g/mol
LogP1.97
Rot. Bonds2

About 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol

4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol (PubChem CID 136548281) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
PubChem CID136548281
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
SMILESCc1cc(N2CCC(O)(CN)CC2)c2cccc(F)c2n1
InChIInChI=1S/C16H20FN3O/c1-11-9-14(12-3-2-4-13(17)15(12)19-11)20-7-5-16(21,10-18)6-8-20/h2-4,9,21H,5-8,10,18H2,1H3
InChIKeyVDVAAGWTIWORHC-UHFFFAOYSA-N
XLogP1.97
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol 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-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
CID 167867904
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052496
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
CID 138001197
(3S)-1-(8-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482606
8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133388826
9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479209
1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride
CID 167936540
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
8-fluoro-4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-methylquinoline
CID 133387080

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol (CID 136548281) is 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol is Cc1cc(N2CCC(O)(CN)CC2)c2cccc(F)c2n1.
What is the InChIKey of 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol?
The InChIKey is VDVAAGWTIWORHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-9-14(12-3-2-4-13(17)15(12)19-11)20-7-5-16(21,10-18)6-8-20/h2-4,9,21H,5-8,10,18H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol?
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol has a molecular weight of 289.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 136548281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).