(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine

C16H20FN3 — CID 129241091

IUPAC(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine
SMILESCc1c(F)cc(N2C[C@@H](C)C[C@@H](N)C2)c2cccnc12
InChIInChI=1S/C16H20FN3/c1-10-6-12(18)9-20(8-10)15-7-14(17)11(2)16-13(15)4-3-5-19-16/h3-5,7,10,12H,6,8-9,18H2,1-2H3/t10-,12+/m0/s1
InChIKeyPUYYSTDMIASSPA-CMPLNLGQSA-N
MW273.35 g/mol
LogP2.86
Rot. Bonds1

About (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine

(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine (PubChem CID 129241091) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine
PubChem CID129241091
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine
SMILESCc1c(F)cc(N2C[C@@H](C)C[C@@H](N)C2)c2cccnc12
InChIInChI=1S/C16H20FN3/c1-10-6-12(18)9-20(8-10)15-7-14(17)11(2)16-13(15)4-3-5-19-16/h3-5,7,10,12H,6,8-9,18H2,1-2H3/t10-,12+/m0/s1
InChIKeyPUYYSTDMIASSPA-CMPLNLGQSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
CID 129241158
tert-butyl 2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]acetate
CID 158758384
(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 129240522
2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 159921824
N-[(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
CID 146329286
(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine
CID 129240529
1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine
CID 106540899
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 129241108
(3R)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 160946489
(3S)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 152826442
(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
CID 160511355
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
CID 145199464

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine?
The IUPAC name of (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine (CID 129241091) is (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine.
What is the SMILES notation for (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine?
The canonical SMILES for (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine is Cc1c(F)cc(N2C[C@@H](C)C[C@@H](N)C2)c2cccnc12.
What is the InChIKey of (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine?
The InChIKey is PUYYSTDMIASSPA-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H20FN3/c1-10-6-12(18)9-20(8-10)15-7-14(17)11(2)16-13(15)4-3-5-19-16/h3-5,7,10,12H,6,8-9,18H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine?
(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine has a molecular weight of 273.35 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 129241091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).