1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol

C28H29NOS — CID 18930373

IUPAC1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1cc2ccccc2s1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C28H29NOS/c30-28(24-12-5-2-6-13-24,27-21-23-11-7-8-14-26(23)31-27)25-16-19-29(20-17-25)18-15-22-9-3-1-4-10-22/h1-14,21,25,30H,15-20H2
InChIKeyUZYUBQPJCCXUAC-UHFFFAOYSA-N
MW427.61 g/mol
LogP6.09
Rot. Bonds6

About 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol

1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol (PubChem CID 18930373) has the molecular formula C28H29NOS and a molecular weight of 427.61 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
PubChem CID18930373
Molecular FormulaC28H29NOS
Molecular Weight427.61 g/mol
Exact Mass427.20
IUPAC Name1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1cc2ccccc2s1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C28H29NOS/c30-28(24-12-5-2-6-13-24,27-21-23-11-7-8-14-26(23)31-27)25-16-19-29(20-17-25)18-15-22-9-3-1-4-10-22/h1-14,21,25,30H,15-20H2
InChIKeyUZYUBQPJCCXUAC-UHFFFAOYSA-N
XLogP6.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.61
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol?
The IUPAC name of 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol (CID 18930373) is 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol?
The canonical SMILES for 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol is OC(c1ccccc1)(c1cc2ccccc2s1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol?
The InChIKey is UZYUBQPJCCXUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NOS/c30-28(24-12-5-2-6-13-24,27-21-23-11-7-8-14-26(23)31-27)25-16-19-29(20-17-25)18-15-22-9-3-1-4-10-22/h1-14,21,25,30H,15-20H2.
What are the key properties of 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol?
1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol has a molecular weight of 427.61 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 18930373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).