N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline

C13H17F3N2 — CID 62313468

IUPACN-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCC1CCCNC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)11-5-1-2-6-12(11)18-9-10-4-3-7-17-8-10/h1-2,5-6,10,17-18H,3-4,7-9H2
InChIKeyNHDOWLULQFGROE-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.12
Rot. Bonds3

About N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline

N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 62313468) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID62313468
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCC1CCCNC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)11-5-1-2-6-12(11)18-9-10-4-3-7-17-8-10/h1-2,5-6,10,17-18H,3-4,7-9H2
InChIKeyNHDOWLULQFGROE-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
2-(difluoromethylsulfanyl)-N-(piperidin-3-ylmethyl)aniline
CID 80553229
N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
CID 80553691
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
N-(oxan-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55209485
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
5-(piperidin-3-ylmethylamino)naphthalen-1-ol
CID 80554062
N-(piperidin-3-ylmethyl)quinolin-8-amine
CID 80553061
5-[3-[[(3S)-piperidin-3-yl]methylamino]-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one;hydrochloride
CID 156761030
N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 43191959
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline (CID 62313468) is N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is NHDOWLULQFGROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)11-5-1-2-6-12(11)18-9-10-4-3-7-17-8-10/h1-2,5-6,10,17-18H,3-4,7-9H2.
What are the key properties of N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline?
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 258.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 62313468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).