N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine

C15H21F3N2O — CID 119918358

IUPACN-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2ccc(OCC(F)(F)F)cc2)C1
InChIInChI=1S/C15H21F3N2O/c1-19-13-3-2-8-20(10-13)9-12-4-6-14(7-5-12)21-11-15(16,17)18/h4-7,13,19H,2-3,8-11H2,1H3
InChIKeyJGTQCBPOBZPGLL-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine

N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine (PubChem CID 119918358) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine
PubChem CID119918358
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2ccc(OCC(F)(F)F)cc2)C1
InChIInChI=1S/C15H21F3N2O/c1-19-13-3-2-8-20(10-13)9-12-4-6-14(7-5-12)21-11-15(16,17)18/h4-7,13,19H,2-3,8-11H2,1H3
InChIKeyJGTQCBPOBZPGLL-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
CID 115299984
1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
CID 82712792
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
2-[(4S)-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]azepan-4-yl]acetic acid
CID 129488958
(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 94476054
1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992190
2-methyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111393941
1-(furan-3-ylmethyl)-N-methylpiperidin-3-amine
CID 63208656
N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
CID 120838020
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine (CID 119918358) is N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine is CNC1CCCN(Cc2ccc(OCC(F)(F)F)cc2)C1.
What is the InChIKey of N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine?
The InChIKey is JGTQCBPOBZPGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-19-13-3-2-8-20(10-13)9-12-4-6-14(7-5-12)21-11-15(16,17)18/h4-7,13,19H,2-3,8-11H2,1H3.
What are the key properties of N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine?
N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine has a molecular weight of 302.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 119918358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).