[6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine

C15H21F3N2O — CID 107104813

IUPAC[6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-11-4-2-6-13(9-19)20(11)10-12-5-3-7-14(8-12)21-15(16,17)18/h3,5,7-8,11,13H,2,4,6,9-10,19H2,1H3
InChIKeyWAUHWDPABVETAT-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.29
Rot. Bonds4

About [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine

[6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine (PubChem CID 107104813) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
PubChem CID107104813
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-11-4-2-6-13(9-19)20(11)10-12-5-3-7-14(8-12)21-15(16,17)18/h3,5,7-8,11,13H,2,4,6,9-10,19H2,1H3
InChIKeyWAUHWDPABVETAT-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
CID 95718043
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927174
2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol
CID 113277018
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol
CID 97153639
3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
CID 103720846
[(2R,6R)-1-benzyl-6-methylpiperidin-2-yl]methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10622754
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
CID 152523745

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine (CID 107104813) is [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine is CC1CCCC(CN)N1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The InChIKey is WAUHWDPABVETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-4-2-6-13(9-19)20(11)10-12-5-3-7-14(8-12)21-15(16,17)18/h3,5,7-8,11,13H,2,4,6,9-10,19H2,1H3.
What are the key properties of [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
[6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 107104813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).