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

C11H21F3N2S — CID 103778149

IUPAC1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-9(2)16-6-3-10(4-7-16)15-5-8-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyRPLUFDBTIVQOQW-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.70
Rot. Bonds5

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

1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 103778149) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID103778149
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-9(2)16-6-3-10(4-7-16)15-5-8-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyRPLUFDBTIVQOQW-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 103778149) is 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is CC(C)N1CCC(NCCSC(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is RPLUFDBTIVQOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-9(2)16-6-3-10(4-7-16)15-5-8-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 103778149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).