N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine

C21H25F3N2O2 — CID 91402853

IUPACN-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine
SMILESCOc1ccc(OC(F)(F)F)cc1CNC1CCCN(C)C1c1ccccc1
InChIInChI=1S/C21H25F3N2O2/c1-26-12-6-9-18(20(26)15-7-4-3-5-8-15)25-14-16-13-17(28-21(22,23)24)10-11-19(16)27-2/h3-5,7-8,10-11,13,18,20,25H,6,9,12,14H2,1-2H3
InChIKeyANMUQUBRHXAGEY-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.52
Rot. Bonds6

About N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine

N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine (PubChem CID 91402853) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine
PubChem CID91402853
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine
SMILESCOc1ccc(OC(F)(F)F)cc1CNC1CCCN(C)C1c1ccccc1
InChIInChI=1S/C21H25F3N2O2/c1-26-12-6-9-18(20(26)15-7-4-3-5-8-15)25-14-16-13-17(28-21(22,23)24)10-11-19(16)27-2/h3-5,7-8,10-11,13,18,20,25H,6,9,12,14H2,1-2H3
InChIKeyANMUQUBRHXAGEY-UHFFFAOYSA-N
XLogP4.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CP-122721
CID 9821217
25I-NBOMe
CID 10251906
CP-100263
CID 9796216
CP-99994
CID 5311057
2-(2,5-Dimethoxyphenyl)pyrrolidine
CID 3489372
25D-Nbome
CID 118536027
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(2-(3-Methoxyphenyl)-1-phenylethyl)piperazine
CID 13904719
1-(2-(2-Methoxyphenyl)-1-phenylethyl)piperazine
CID 44414722
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
1-(2-(2-(Difluoromethoxy)phenyl)-1-phenylethyl)piperazine (enantiomeric mix)
CID 46890395
1-(1-(2-Fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine (enantiomeric mix)
CID 46890492

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine?
The IUPAC name of N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine (CID 91402853) is N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine is COc1ccc(OC(F)(F)F)cc1CNC1CCCN(C)C1c1ccccc1.
What is the InChIKey of N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine?
The InChIKey is ANMUQUBRHXAGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-26-12-6-9-18(20(26)15-7-4-3-5-8-15)25-14-16-13-17(28-21(22,23)24)10-11-19(16)27-2/h3-5,7-8,10-11,13,18,20,25H,6,9,12,14H2,1-2H3.
What are the key properties of N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine?
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine has a molecular weight of 394.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-methyl-2-phenylpiperidin-3-amine is sourced from PubChem (CID 91402853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).