4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline

C18H21F3N2O2 — CID 133448497

IUPAC4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
SMILESCOCCOC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H21F3N2O2/c1-24-10-11-25-14-5-8-23(9-6-14)17-4-7-22-16-12-13(18(19,20)21)2-3-15(16)17/h2-4,7,12,14H,5-6,8-11H2,1H3
InChIKeyGZJRIQODTPKWLD-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.89
Rot. Bonds5

About 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline

4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline (PubChem CID 133448497) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
PubChem CID133448497
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
SMILESCOCCOC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H21F3N2O2/c1-24-10-11-25-14-5-8-23(9-6-14)17-4-7-22-16-12-13(18(19,20)21)2-3-15(16)17/h2-4,7,12,14H,5-6,8-11H2,1H3
InChIKeyGZJRIQODTPKWLD-UHFFFAOYSA-N
XLogP3.89
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
CID 133401937
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402824
4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
CID 133401397
2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
CID 133402379
5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 133405243
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402449
N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 133404980
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
CID 154575895
7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline
CID 133401314
oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 171996126
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
CID 163354863
1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
CID 133401394

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline (CID 133448497) is 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline is COCCOC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline?
The InChIKey is GZJRIQODTPKWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-24-10-11-25-14-5-8-23(9-6-14)17-4-7-22-16-12-13(18(19,20)21)2-3-15(16)17/h2-4,7,12,14H,5-6,8-11H2,1H3.
What are the key properties of 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline?
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline has a molecular weight of 354.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 133448497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).