[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone

C19H21F3N2O2S — CID 119517623

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
SMILESCC(N)C1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1
InChIInChI=1S/C19H21F3N2O2S/c1-12(23)13-8-10-24(11-9-13)18(25)17-7-6-16(27-17)14-2-4-15(5-3-14)26-19(20,21)22/h2-7,12-13H,8-11,23H2,1H3
InChIKeyCQZDFRRWROCXMC-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.51
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone (PubChem CID 119517623) has the molecular formula C19H21F3N2O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
PubChem CID119517623
Molecular FormulaC19H21F3N2O2S
Molecular Weight398.45 g/mol
Exact Mass398.13
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
SMILESCC(N)C1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1
InChIInChI=1S/C19H21F3N2O2S/c1-12(23)13-8-10-24(11-9-13)18(25)17-7-6-16(27-17)14-2-4-15(5-3-14)26-19(20,21)22/h2-7,12-13H,8-11,23H2,1H3
InChIKeyCQZDFRRWROCXMC-UHFFFAOYSA-N
XLogP4.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone with MolForge

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride
CID 120818353
[3-(methylaminomethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119539267
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 119582143
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 55217648
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 119520582
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
CID 119402846
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646358
N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119441884
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119638226
[4-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537973

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone (CID 119517623) is [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone is CC(N)C1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone?
The InChIKey is CQZDFRRWROCXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2S/c1-12(23)13-8-10-24(11-9-13)18(25)17-7-6-16(27-17)14-2-4-15(5-3-14)26-19(20,21)22/h2-7,12-13H,8-11,23H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone has a molecular weight of 398.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone is sourced from PubChem (CID 119517623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).