N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine

C15H21F3N2O — CID 103815912

IUPACN-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCN(Cc1cccc(OC(F)(F)F)c1)CC1CCCNC1
InChIInChI=1S/C15H21F3N2O/c1-20(11-13-5-3-7-19-9-13)10-12-4-2-6-14(8-12)21-15(16,17)18/h2,4,6,8,13,19H,3,5,7,9-11H2,1H3
InChIKeyGZVVOMDTZNKRCJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine

N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 103815912) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID103815912
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCN(Cc1cccc(OC(F)(F)F)c1)CC1CCCNC1
InChIInChI=1S/C15H21F3N2O/c1-20(11-13-5-3-7-19-9-13)10-12-4-2-6-14(8-12)21-15(16,17)18/h2,4,6,8,13,19H,3,5,7,9-11H2,1H3
InChIKeyGZVVOMDTZNKRCJ-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119345501
3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 122357463
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119345493
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 103815780
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
CID 119930822

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine (CID 103815912) is N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine is CN(Cc1cccc(OC(F)(F)F)c1)CC1CCCNC1.
What is the InChIKey of N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is GZVVOMDTZNKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-20(11-13-5-3-7-19-9-13)10-12-4-2-6-14(8-12)21-15(16,17)18/h2,4,6,8,13,19H,3,5,7,9-11H2,1H3.
What are the key properties of N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 103815912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).