N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine

C25H28F3N3O — CID 25167452

IUPACN,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCN(C)c1cc(COCC2(c3ccccc3)CCNCC2)nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C25H28F3N3O/c1-31(2)23-15-20(30-22-14-19(25(26,27)28)8-9-21(22)23)16-32-17-24(10-12-29-13-11-24)18-6-4-3-5-7-18/h3-9,14-15,29H,10-13,16-17H2,1-2H3
InChIKeySKMWFXHCKDEZFO-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.16
Rot. Bonds6

About N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine

N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 25167452) has the molecular formula C25H28F3N3O and a molecular weight of 443.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID25167452
Molecular FormulaC25H28F3N3O
Molecular Weight443.51 g/mol
Exact Mass443.22
IUPAC NameN,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCN(C)c1cc(COCC2(c3ccccc3)CCNCC2)nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C25H28F3N3O/c1-31(2)23-15-20(30-22-14-19(25(26,27)28)8-9-21(22)23)16-32-17-24(10-12-29-13-11-24)18-6-4-3-5-7-18/h3-9,14-15,29H,10-13,16-17H2,1-2H3
InChIKeySKMWFXHCKDEZFO-UHFFFAOYSA-N
XLogP5.16
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine with MolForge

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Related Compounds

2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 11068428
N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine
CID 86766835
1-[(4R,5S)-3,3-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidin-4-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 162662141
1-[(4R,5S)-3,3-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine
CID 162668827
N-[(2-chloroquinolin-3-yl)methyl]-1-[(4R,5S)-3,3-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidin-4-yl]methanamine
CID 162670253
{2-[4-(Methoxymethyl)phenyl](4-quinolyl)}(3-piperidylpropyl)amine
CID 141703758
Piperidin-2-yl-[2-(trifluoromethyl)benzo[h]quinolin-4-yl]methanol
CID 44361361
[2-(4-Methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
CID 44361389
1-[2,8-bis(Trifluoromethyl)-4-quinolyl]-2-[(1-methyl-3-morpholino-propyl)amino]ethanol
CID 54576793
(R)-[(2S)-piperidin-2-yl]-[2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]methanol;dihydrochloride
CID 155547939
N-(4-morpholin-4-ylphenyl)-2,7-bis(trifluoromethyl)quinolin-4-amine
CID 168274786
N-(3-morpholin-4-ylphenyl)-2,7-bis(trifluoromethyl)quinolin-4-amine
CID 168285088

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine (CID 25167452) is N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine is CN(C)c1cc(COCC2(c3ccccc3)CCNCC2)nc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is SKMWFXHCKDEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O/c1-31(2)23-15-20(30-22-14-19(25(26,27)28)8-9-21(22)23)16-32-17-24(10-12-29-13-11-24)18-6-4-3-5-7-18/h3-9,14-15,29H,10-13,16-17H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine?
N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 443.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 25167452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).