2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline

C14H18ClF3N2 — CID 115054215

IUPAC2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H18ClF3N2/c15-12-9-11(14(16,17)18)1-2-13(12)20-8-5-10-3-6-19-7-4-10/h1-2,9-10,19-20H,3-8H2
InChIKeyHEBJRQPRGWXBDO-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.16
Rot. Bonds4

About 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline

2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline (PubChem CID 115054215) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
PubChem CID115054215
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H18ClF3N2/c15-12-9-11(14(16,17)18)1-2-13(12)20-8-5-10-3-6-19-7-4-10/h1-2,9-10,19-20H,3-8H2
InChIKeyHEBJRQPRGWXBDO-UHFFFAOYSA-N
XLogP4.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-Chloro-1,2,3,4-tetrahydroquinoline
CID 13219443
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidinoacetamide
CID 2813143
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-(2-pyrrolidin-3-ylethyl)aniline
CID 68325464
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-(2-piperidin-3-ylethyl)aniline
CID 68325662
Phenethylamine, 3-chloro-4-piperidino-, hydrochloride
CID 3054966
Phenethylamine, 3-chloro-beta-methyl-4-piperidino-, dihydrochloride
CID 217332
1-(4-Chloro-3-(trifluoromethyl)phenyl)piperazine
CID 2778137
N-(2-Chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 23324799
2-(3-Chloro-4-piperidin-1-ylphenyl)propan-1-amine;hydrochloride
CID 69594914
2-(4-benzylpiperazin-1-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 2813142
8-Chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
CID 16794466
3-Chloro-4-(piperazin-1-yl)benzonitrile
CID 19367113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline (CID 115054215) is 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCCC2CCNCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline?
The InChIKey is HEBJRQPRGWXBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c15-12-9-11(14(16,17)18)1-2-13(12)20-8-5-10-3-6-19-7-4-10/h1-2,9-10,19-20H,3-8H2.
What are the key properties of 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline?
2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline has a molecular weight of 306.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115054215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).