N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine

C18H22F3N3O — CID 133404980

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCOCCN1CCC(Nc2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H22F3N3O/c1-25-11-10-24-8-5-14(6-9-24)23-16-4-7-22-17-12-13(18(19,20)21)2-3-15(16)17/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,22,23)
InChIKeyLMJJAPKYQFWKOK-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.78
Rot. Bonds5

About N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine

N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133404980) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133404980
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCOCCN1CCC(Nc2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H22F3N3O/c1-25-11-10-24-8-5-14(6-9-24)23-16-4-7-22-17-12-13(18(19,20)21)2-3-15(16)17/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,22,23)
InChIKeyLMJJAPKYQFWKOK-UHFFFAOYSA-N
XLogP3.78
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
CID 10625318
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133448497
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401455
4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
CID 133401397
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766
2-ethyl-N-[1-(2-methoxyethyl)piperidin-4-yl]pyridin-4-amine
CID 144986544
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 156712157
N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine
CID 175308756
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
CID 43714560
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine (CID 133404980) is N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine is COCCN1CCC(Nc2ccnc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is LMJJAPKYQFWKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-25-11-10-24-8-5-14(6-9-24)23-16-4-7-22-17-12-13(18(19,20)21)2-3-15(16)17/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,22,23).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine?
N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 353.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133404980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).