N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C22H27F3N2 — CID 1329756

IUPACN-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H27F3N2/c1-2-27(16-18-8-4-3-5-9-18)20-12-14-26(15-13-20)17-19-10-6-7-11-21(19)22(23,24)25/h3-11,20H,2,12-17H2,1H3
InChIKeyWFUFWYSHMPCTJL-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.19
Rot. Bonds6

About N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 1329756) has the molecular formula C22H27F3N2 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID1329756
Molecular FormulaC22H27F3N2
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC NameN-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H27F3N2/c1-2-27(16-18-8-4-3-5-9-18)20-12-14-26(15-13-20)17-19-10-6-7-11-21(19)22(23,24)25/h3-11,20H,2,12-17H2,1H3
InChIKeyWFUFWYSHMPCTJL-UHFFFAOYSA-N
XLogP5.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-ethylpiperidin-4-amine;oxalic acid
CID 17369350
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326
N-benzyl-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754214
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 1329756) is N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is CCN(Cc1ccccc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is WFUFWYSHMPCTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2/c1-2-27(16-18-8-4-3-5-9-18)20-12-14-26(15-13-20)17-19-10-6-7-11-21(19)22(23,24)25/h3-11,20H,2,12-17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 376.47 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 1329756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).