N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine

C12H23F3N2S — CID 106636028

IUPACN-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
SMILESCCCN(CCSC(F)(F)F)CC1CCCCN1
InChIInChI=1S/C12H23F3N2S/c1-2-7-17(8-9-18-12(13,14)15)10-11-5-3-4-6-16-11/h11,16H,2-10H2,1H3
InChIKeyXFIGRYQVSRQEJS-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.09
Rot. Bonds7

About N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine

N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine (PubChem CID 106636028) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
PubChem CID106636028
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC NameN-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
SMILESCCCN(CCSC(F)(F)F)CC1CCCCN1
InChIInChI=1S/C12H23F3N2S/c1-2-7-17(8-9-18-12(13,14)15)10-11-5-3-4-6-16-11/h11,16H,2-10H2,1H3
InChIKeyXFIGRYQVSRQEJS-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine (CID 106636028) is N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine is CCCN(CCSC(F)(F)F)CC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The InChIKey is XFIGRYQVSRQEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-2-7-17(8-9-18-12(13,14)15)10-11-5-3-4-6-16-11/h11,16H,2-10H2,1H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine has a molecular weight of 284.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 106636028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).