N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C13H18ClF3N2S — CID 62575679

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESFC(F)(F)C1CCCN(CCNCc2ccc(Cl)s2)C1
InChIInChI=1S/C13H18ClF3N2S/c14-12-4-3-11(20-12)8-18-5-7-19-6-1-2-10(9-19)13(15,16)17/h3-4,10,18H,1-2,5-9H2
InChIKeyFDKWTAYWUFYFJS-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.77
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 62575679) has the molecular formula C13H18ClF3N2S and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID62575679
Molecular FormulaC13H18ClF3N2S
Molecular Weight326.82 g/mol
Exact Mass326.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESFC(F)(F)C1CCCN(CCNCc2ccc(Cl)s2)C1
InChIInChI=1S/C13H18ClF3N2S/c14-12-4-3-11(20-12)8-18-5-7-19-6-1-2-10(9-19)13(15,16)17/h3-4,10,18H,1-2,5-9H2
InChIKeyFDKWTAYWUFYFJS-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.77
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-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114540403
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63620344
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62560300
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
CID 62554401
N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine
CID 62574239
2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
CID 126837965
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63620184
3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine
CID 62574425
2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
CID 62574960
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 62575679) is N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is FC(F)(F)C1CCCN(CCNCc2ccc(Cl)s2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is FDKWTAYWUFYFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2S/c14-12-4-3-11(20-12)8-18-5-7-19-6-1-2-10(9-19)13(15,16)17/h3-4,10,18H,1-2,5-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 326.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 62575679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).