5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C14H21F3N2S — CID 83992385

IUPAC5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCC(C)C1CC(NCC(F)(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C14H21F3N2S/c1-10(2)11-5-12(18-9-14(15,16)17)7-19(6-11)13-3-4-20-8-13/h3-4,8,10-12,18H,5-7,9H2,1-2H3
InChIKeyJRPVJLPZMPEVNK-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.75
Rot. Bonds4

About 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992385) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992385
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCC(C)C1CC(NCC(F)(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C14H21F3N2S/c1-10(2)11-5-12(18-9-14(15,16)17)7-19(6-11)13-3-4-20-8-13/h3-4,8,10-12,18H,5-7,9H2,1-2H3
InChIKeyJRPVJLPZMPEVNK-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethyl)cyclohexyl]thiophen-3-amine
CID 66352095
N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine
CID 66352296
N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 66352549
N-[2-(trifluoromethyl)cyclohexyl]thiophen-3-amine
CID 66352568
1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992381
5-methyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992382
5-ethyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992383
5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992384
N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83993075
N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993076
N-(2,2-difluoroethyl)-5-ethyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993077
N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993078

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992385) is 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CC(C)C1CC(NCC(F)(F)F)CN(c2ccsc2)C1.
What is the InChIKey of 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is JRPVJLPZMPEVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-10(2)11-5-12(18-9-14(15,16)17)7-19(6-11)13-3-4-20-8-13/h3-4,8,10-12,18H,5-7,9H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 306.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).