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

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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).