2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline

C14H19F3N2 — CID 79708126

IUPAC2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCC1CCNCC1
InChIInChI=1S/C14H19F3N2/c1-10-2-3-12(14(15,16)17)8-13(10)19-9-11-4-6-18-7-5-11/h2-3,8,11,18-19H,4-7,9H2,1H3
InChIKeyGETNCAMPQWNUAQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.43
Rot. Bonds3

About 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline

2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline (PubChem CID 79708126) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
PubChem CID79708126
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCC1CCNCC1
InChIInChI=1S/C14H19F3N2/c1-10-2-3-12(14(15,16)17)8-13(10)19-9-11-4-6-18-7-5-11/h2-3,8,11,18-19H,4-7,9H2,1H3
InChIKeyGETNCAMPQWNUAQ-UHFFFAOYSA-N
XLogP3.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
CID 115209825
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
CID 65460311
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
4-bromo-N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 65483818
4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
CID 116840354
4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid
CID 79707293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline (CID 79708126) is 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NCC1CCNCC1.
What is the InChIKey of 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline?
The InChIKey is GETNCAMPQWNUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10-2-3-12(14(15,16)17)8-13(10)19-9-11-4-6-18-7-5-11/h2-3,8,11,18-19H,4-7,9H2,1H3.
What are the key properties of 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline?
2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 79708126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).