N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C20H22ClF3N2 — CID 3931119

IUPACN-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1c(Cl)cccc1NC1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H22ClF3N2/c1-14-18(21)7-4-8-19(14)25-16-9-11-26(12-10-16)13-15-5-2-3-6-17(15)20(22,23)24/h2-8,16,25H,9-13H2,1H3
InChIKeyQWZRIEDCBVEGEU-UHFFFAOYSA-N
MW382.86 g/mol
LogP5.74
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 3931119) has the molecular formula C20H22ClF3N2 and a molecular weight of 382.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID3931119
Molecular FormulaC20H22ClF3N2
Molecular Weight382.86 g/mol
Exact Mass382.14
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1c(Cl)cccc1NC1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H22ClF3N2/c1-14-18(21)7-4-8-19(14)25-16-9-11-26(12-10-16)13-15-5-2-3-6-17(15)20(22,23)24/h2-8,16,25H,9-13H2,1H3
InChIKeyQWZRIEDCBVEGEU-UHFFFAOYSA-N
XLogP5.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.86
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
CID 3587375
1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 174580283
N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758624
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
CID 3902655
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
N-[2-chloro-6-(trifluoromethyl)phenyl]-1-ethylazepan-4-amine
CID 65074435

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 3931119) is N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is Cc1c(Cl)cccc1NC1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is QWZRIEDCBVEGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N2/c1-14-18(21)7-4-8-19(14)25-16-9-11-26(12-10-16)13-15-5-2-3-6-17(15)20(22,23)24/h2-8,16,25H,9-13H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 382.86 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 3931119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).