N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline

C21H25F3N2O2 — CID 141351591

IUPACN-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline
SMILESCN(CC1CCNCC1)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H25F3N2O2/c1-26(14-16-10-12-25-13-11-16)18-4-8-19(9-5-18)27-15-17-2-6-20(7-3-17)28-21(22,23)24/h2-9,16,25H,10-15H2,1H3
InChIKeyCPNQIJDYMKTGAR-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.60
Rot. Bonds7

About N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline

N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline (PubChem CID 141351591) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline
PubChem CID141351591
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline
SMILESCN(CC1CCNCC1)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H25F3N2O2/c1-26(14-16-10-12-25-13-11-16)18-4-8-19(9-5-18)27-15-17-2-6-20(7-3-17)28-21(22,23)24/h2-9,16,25H,10-15H2,1H3
InChIKeyCPNQIJDYMKTGAR-UHFFFAOYSA-N
XLogP4.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
CID 115209862
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 102954321
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123473878
4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine;4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]phenol
CID 158919726
4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 66524896
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline (CID 141351591) is N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline is CN(CC1CCNCC1)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline?
The InChIKey is CPNQIJDYMKTGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-26(14-16-10-12-25-13-11-16)18-4-8-19(9-5-18)27-15-17-2-6-20(7-3-17)28-21(22,23)24/h2-9,16,25H,10-15H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline?
N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline has a molecular weight of 394.44 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline is sourced from PubChem (CID 141351591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).