(3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol

C24H28FN3O — CID 125175752

IUPAC(3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol
SMILESCc1cccc2cc(CNCCc3ccc(F)cc3)c(N3CCC[C@@H](O)C3)nc12
InChIInChI=1S/C24H28FN3O/c1-17-4-2-5-19-14-20(15-26-12-11-18-7-9-21(25)10-8-18)24(27-23(17)19)28-13-3-6-22(29)16-28/h2,4-5,7-10,14,22,26,29H,3,6,11-13,15-16H2,1H3/t22-/m1/s1
InChIKeyKOGJPRBWSUAEAR-JOCHJYFZSA-N
MW393.51 g/mol
LogP3.98
Rot. Bonds6

About (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol

(3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol (PubChem CID 125175752) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol
PubChem CID125175752
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name(3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol
SMILESCc1cccc2cc(CNCCc3ccc(F)cc3)c(N3CCC[C@@H](O)C3)nc12
InChIInChI=1S/C24H28FN3O/c1-17-4-2-5-19-14-20(15-26-12-11-18-7-9-21(25)10-8-18)24(27-23(17)19)28-13-3-6-22(29)16-28/h2,4-5,7-10,14,22,26,29H,3,6,11-13,15-16H2,1H3/t22-/m1/s1
InChIKeyKOGJPRBWSUAEAR-JOCHJYFZSA-N
XLogP3.98
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-8-methylquinolin-3-yl]methyl]cyclobutanecarboxamide
CID 42247996
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]-N-[[2-(3-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]acetamide
CID 45211790
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840
N-[[2-(3-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 45169792
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306
1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol
CID 45168438
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630199
(2-chloro-8-methylquinolin-3-yl)methanol;(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methanol
CID 90281763
ethyl 1-[3-[[(4-fluorophenyl)methylamino]methyl]-6,7-dimethoxyquinolin-2-yl]piperidine-3-carboxylate
CID 118756066
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol (CID 125175752) is (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol is Cc1cccc2cc(CNCCc3ccc(F)cc3)c(N3CCC[C@@H](O)C3)nc12.
What is the InChIKey of (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol?
The InChIKey is KOGJPRBWSUAEAR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-17-4-2-5-19-14-20(15-26-12-11-18-7-9-21(25)10-8-18)24(27-23(17)19)28-13-3-6-22(29)16-28/h2,4-5,7-10,14,22,26,29H,3,6,11-13,15-16H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol?
(3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol has a molecular weight of 393.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[2-(4-fluorophenyl)ethylamino]methyl]-8-methylquinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 125175752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).