N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline

C14H19F3N2S — CID 79707998

IUPACN-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NCC1CCNCC1
InChIInChI=1S/C14H19F3N2S/c15-14(16,17)10-20-13-4-2-1-3-12(13)19-9-11-5-7-18-8-6-11/h1-4,11,18-19H,5-10H2
InChIKeyGUMCXJFOBCHBIQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.75
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline

N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 79707998) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID79707998
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC NameN-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NCC1CCNCC1
InChIInChI=1S/C14H19F3N2S/c15-14(16,17)10-20-13-4-2-1-3-12(13)19-9-11-5-7-18-8-6-11/h1-4,11,18-19H,5-10H2
InChIKeyGUMCXJFOBCHBIQ-UHFFFAOYSA-N
XLogP3.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63433063
N-[(1-methylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 62656528
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
N-(3-methoxy-3-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102975645
5-nitro-4-N-(piperidin-4-ylmethyl)-2-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 150862296
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
N-(azepan-4-ylmethyl)-2-chloroaniline
CID 84700952
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691329
1-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]cyclohexane-1,3-diamine
CID 79458373
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 43704741
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43426079

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 79707998) is N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is FC(F)(F)CSc1ccccc1NCC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is GUMCXJFOBCHBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c15-14(16,17)10-20-13-4-2-1-3-12(13)19-9-11-5-7-18-8-6-11/h1-4,11,18-19H,5-10H2.
What are the key properties of N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 304.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 79707998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).