N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C15H21F3N2 — CID 2173507

IUPACN,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H21F3N2/c1-19-9-7-14(8-10-19)20(2)11-12-3-5-13(6-4-12)15(16,17)18/h3-6,14H,7-11H2,1-2H3
InChIKeyITLZPMWDOBMQAY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.23
Rot. Bonds3

About N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 2173507) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID2173507
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H21F3N2/c1-19-9-7-14(8-10-19)20(2)11-12-3-5-13(6-4-12)15(16,17)18/h3-6,14H,7-11H2,1-2H3
InChIKeyITLZPMWDOBMQAY-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232377
1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299549
N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 24703247
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
1,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299845
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one
CID 47020410
N-methyl-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-2-amine
CID 62184630
N-[(3-bromo-4-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838335
N-[(3-tert-butyl-5-fluorophenyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 121458402

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 2173507) is N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is CN1CCC(N(C)Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is ITLZPMWDOBMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-19-9-7-14(8-10-19)20(2)11-12-3-5-13(6-4-12)15(16,17)18/h3-6,14H,7-11H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 2173507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).