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

C13H16ClF3N2 — CID 106633355

IUPAC2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCC2CCCCN2)c(Cl)c1
InChIInChI=1S/C13H16ClF3N2/c14-11-7-9(13(15,16)17)4-5-12(11)19-8-10-3-1-2-6-18-10/h4-5,7,10,18-19H,1-3,6,8H2
InChIKeyQHMFNFAUBDUKNS-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.91
Rot. Bonds3

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

2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 106633355) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
PubChem CID106633355
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCC2CCCCN2)c(Cl)c1
InChIInChI=1S/C13H16ClF3N2/c14-11-7-9(13(15,16)17)4-5-12(11)19-8-10-3-1-2-6-18-10/h4-5,7,10,18-19H,1-3,6,8H2
InChIKeyQHMFNFAUBDUKNS-UHFFFAOYSA-N
XLogP3.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
CID 17389755
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 103693086
4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053482
2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
2-chloro-N-[(5-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 82834363
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053481
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
CID 106633086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline (CID 106633355) is 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCC2CCCCN2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is QHMFNFAUBDUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c14-11-7-9(13(15,16)17)4-5-12(11)19-8-10-3-1-2-6-18-10/h4-5,7,10,18-19H,1-3,6,8H2.
What are the key properties of 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline?
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 292.73 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 106633355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).