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

C13H16ClF3N2 — CID 87065451

IUPAC1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCN(c1ccccc1C(F)(F)F)C1CCN(Cl)CC1
InChIInChI=1S/C13H16ClF3N2/c1-18(10-6-8-19(14)9-7-10)12-5-3-2-4-11(12)13(15,16)17/h2-5,10H,6-9H2,1H3
InChIKeyTUHKWAJGJOUFTG-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.76
Rot. Bonds2

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

1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 87065451) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID87065451
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCN(c1ccccc1C(F)(F)F)C1CCN(Cl)CC1
InChIInChI=1S/C13H16ClF3N2/c1-18(10-6-8-19(14)9-7-10)12-5-3-2-4-11(12)13(15,16)17/h2-5,10H,6-9H2,1H3
InChIKeyTUHKWAJGJOUFTG-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 67480079
4-N-(2-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029186
ethane;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-methyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone
CID 145415413
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
CID 110454576
4-(2-bromo-N-methylanilino)piperidine-1-carboxylic acid
CID 174643908
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814
N-chloro-N,2-bis(trifluoromethyl)aniline
CID 88613583
1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 63760135
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707
N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
CID 58113742
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine (CID 87065451) is 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine is CN(c1ccccc1C(F)(F)F)C1CCN(Cl)CC1.
What is the InChIKey of 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is TUHKWAJGJOUFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-18(10-6-8-19(14)9-7-10)12-5-3-2-4-11(12)13(15,16)17/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 292.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 87065451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).