N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H21F3N2 — CID 43768782

IUPACN-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cccc(CNC2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C15H21F3N2/c1-12-3-2-4-13(9-12)10-19-14-5-7-20(8-6-14)11-15(16,17)18/h2-4,9,14,19H,5-8,10-11H2,1H3
InChIKeyAJRKDJJDMKFMOM-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.11
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43768782) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43768782
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cccc(CNC2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C15H21F3N2/c1-12-3-2-4-13(9-12)10-19-14-5-7-20(8-6-14)11-15(16,17)18/h2-4,9,14,19H,5-8,10-11H2,1H3
InChIKeyAJRKDJJDMKFMOM-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
1-(2,2,2-trifluoroethyl)-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 119107086
N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772111
N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107084
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43747948
N-[(3-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435217
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160
4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 28553389
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide
CID 119107058
1-ethyl-2-[2-(3-methylphenyl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111916239

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43768782) is N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cccc(CNC2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is AJRKDJJDMKFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-12-3-2-4-13(9-12)10-19-14-5-7-20(8-6-14)11-15(16,17)18/h2-4,9,14,19H,5-8,10-11H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43768782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).