N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

C11H21F3N2S — CID 106429783

IUPACN-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCCCNC1CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-2-5-15-10-3-6-16(7-4-10)8-9-17-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyRNEAZTWOCBPPGF-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.70
Rot. Bonds6

About N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 106429783) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID106429783
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCCCNC1CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-2-5-15-10-3-6-16(7-4-10)8-9-17-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyRNEAZTWOCBPPGF-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 24710241
N-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43315253
N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
CID 54595920
1-propan-2-yl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696501
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
N-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60807298
1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
CID 60923174
1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine
CID 60923175
N-methyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226778
N-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226829

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 106429783) is N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is CCCNC1CCN(CCSC(F)(F)F)CC1.
What is the InChIKey of N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is RNEAZTWOCBPPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-2-5-15-10-3-6-16(7-4-10)8-9-17-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106429783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).