4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine

C21H33N3S — CID 174256279

IUPAC4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCC(C)CCCCCCCN1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C21H33N3S/c1-18(2)8-6-4-3-5-7-12-23-13-15-24(16-14-23)21-19-10-17-25-20(19)9-11-22-21/h9-11,17-18H,3-8,12-16H2,1-2H3
InChIKeyYAORLIZSJKAJLU-UHFFFAOYSA-N
MW359.58 g/mol
LogP5.41
Rot. Bonds9

About 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine

4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine (PubChem CID 174256279) has the molecular formula C21H33N3S and a molecular weight of 359.58 g/mol. Its IUPAC name is 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
PubChem CID174256279
Molecular FormulaC21H33N3S
Molecular Weight359.58 g/mol
Exact Mass359.24
IUPAC Name4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCC(C)CCCCCCCN1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C21H33N3S/c1-18(2)8-6-4-3-5-7-12-23-13-15-24(16-14-23)21-19-10-17-25-20(19)9-11-22-21/h9-11,17-18H,3-8,12-16H2,1-2H3
InChIKeyYAORLIZSJKAJLU-UHFFFAOYSA-N
XLogP5.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine
CID 60871032
4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
CID 67125798
4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 126808096
1-[(1R,3R)-3-methoxycyclopentyl]-3-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propan-2-one
CID 58567294
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588134
[2-methyl-1-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propan-2-yl] carbamate
CID 174671822
(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol
CID 171359905
tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
CID 67125790
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
CID 106673226
N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide
CID 126803579
4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 171702458

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine?
The IUPAC name of 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine (CID 174256279) is 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine is CC(C)CCCCCCCN1CCN(c2nccc3sccc23)CC1.
What is the InChIKey of 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine?
The InChIKey is YAORLIZSJKAJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3S/c1-18(2)8-6-4-3-5-7-12-23-13-15-24(16-14-23)21-19-10-17-25-20(19)9-11-22-21/h9-11,17-18H,3-8,12-16H2,1-2H3.
What are the key properties of 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine?
4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine has a molecular weight of 359.58 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 174256279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).