N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine

C21H22F3N3S — CID 162594051

IUPACN-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCN(Cc4ccccc4)CC3)ccnc2s1
InChIInChI=1S/C21H22F3N3S/c22-21(23,24)13-17-12-18-19(6-9-25-20(18)28-17)26-16-7-10-27(11-8-16)14-15-4-2-1-3-5-15/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,25,26)
InChIKeyOIFQNUJFAWNSPM-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.48
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine

N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine (PubChem CID 162594051) has the molecular formula C21H22F3N3S and a molecular weight of 405.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
PubChem CID162594051
Molecular FormulaC21H22F3N3S
Molecular Weight405.49 g/mol
Exact Mass405.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCN(Cc4ccccc4)CC3)ccnc2s1
InChIInChI=1S/C21H22F3N3S/c22-21(23,24)13-17-12-18-19(6-9-25-20(18)28-17)26-16-7-10-27(11-8-16)14-15-4-2-1-3-5-15/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,25,26)
InChIKeyOIFQNUJFAWNSPM-UHFFFAOYSA-N
XLogP5.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

3-Amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
CID 793761
n-Methyl-1-(thieno[2,3-b]pyridin-2-yl)methanamine
CID 7537465
Cyp17-IN-1
CID 137635843
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137648186
6-fluoro-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137658689
6-fluoro-2-[(4-prop-1-en-2-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137659776
US11168093, Example 120a
CID 149061686
US11168093, Example 1
CID 149559960
N-[1-[(3-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 86296883
(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 135313965
3-Amino-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 947304
US11168093, Example 67b
CID 146874306

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine (CID 162594051) is N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine is FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccccc4)CC3)ccnc2s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is OIFQNUJFAWNSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3S/c22-21(23,24)13-17-12-18-19(6-9-25-20(18)28-17)26-16-7-10-27(11-8-16)14-15-4-2-1-3-5-15/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,25,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 405.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 162594051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).