4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride

C22H26ClNOS — CID 11610765

IUPAC4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(c1)C(=C1CCN(C)CC1)C(C)(c1ccccc1)S2.Cl
InChIInChI=1S/C22H25NOS.ClH/c1-22(17-7-5-4-6-8-17)21(16-11-13-23(2)14-12-16)19-15-18(24-3)9-10-20(19)25-22;/h4-10,15H,11-14H2,1-3H3;1H
InChIKeyAIAPWVKGRYVJKC-UHFFFAOYSA-N
MW387.98 g/mol
LogP5.62
Rot. Bonds2

About 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride

4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride (PubChem CID 11610765) has the molecular formula C22H26ClNOS and a molecular weight of 387.98 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride
PubChem CID11610765
Molecular FormulaC22H26ClNOS
Molecular Weight387.98 g/mol
Exact Mass387.14
IUPAC Name4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(c1)C(=C1CCN(C)CC1)C(C)(c1ccccc1)S2.Cl
InChIInChI=1S/C22H25NOS.ClH/c1-22(17-7-5-4-6-8-17)21(16-11-13-23(2)14-12-16)19-15-18(24-3)9-10-20(19)25-22;/h4-10,15H,11-14H2,1-3H3;1H
InChIKeyAIAPWVKGRYVJKC-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.98
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride?
The IUPAC name of 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride (CID 11610765) is 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride?
The canonical SMILES for 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride is COc1ccc2c(c1)C(=C1CCN(C)CC1)C(C)(c1ccccc1)S2.Cl.
What is the InChIKey of 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride?
The InChIKey is AIAPWVKGRYVJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOS.ClH/c1-22(17-7-5-4-6-8-17)21(16-11-13-23(2)14-12-16)19-15-18(24-3)9-10-20(19)25-22;/h4-10,15H,11-14H2,1-3H3;1H.
What are the key properties of 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride?
4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride has a molecular weight of 387.98 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methyl-2-phenyl-1-benzothiophen-3-ylidene)-1-methylpiperidine;hydrochloride is sourced from PubChem (CID 11610765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).