2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol

C20H22N2OS — CID 146172074

IUPAC2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ccc(-c3cc4ccccc4s3)cn2)CC1
InChIInChI=1S/C20H22N2OS/c23-12-9-15-7-10-22(11-8-15)20-6-5-17(14-21-20)19-13-16-3-1-2-4-18(16)24-19/h1-6,13-15,23H,7-12H2
InChIKeyKTGODXJJGJAZGD-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.56
Rot. Bonds4

About 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol

2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol (PubChem CID 146172074) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol
PubChem CID146172074
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ccc(-c3cc4ccccc4s3)cn2)CC1
InChIInChI=1S/C20H22N2OS/c23-12-9-15-7-10-22(11-8-15)20-6-5-17(14-21-20)19-13-16-3-1-2-4-18(16)24-19/h1-6,13-15,23H,7-12H2
InChIKeyKTGODXJJGJAZGD-UHFFFAOYSA-N
XLogP4.56
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(1-benzothiophen-2-yl)quinolin-2-yl]piperidine-4-carboxylic acid
CID 174215132
2-[1-[5-(5-methoxy-1H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 146171993
ethyl 1-[6-(1-benzothiophen-2-yl)quinolin-2-yl]piperidine-4-carboxylate
CID 156558103
2-[2-[1-[6-(1-benzothiophen-2-yl)pyrimidin-4-yl]piperidin-4-yl]ethoxy]-5-fluoropyrimidin-4-amine
CID 46879632
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]ethanol
CID 121206000
5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
CID 53223621
[6-(4-propylpiperidin-1-yl)-3-pyridinyl]methanol
CID 62205775
2-[6-[4-(4-fluorobutoxy)piperidin-1-yl]-3-pyridinyl]-1,3-benzothiazole
CID 146171943
6-[4-(3-fluoropropyl)piperidin-1-yl]-2-pyridin-3-ylthieno[2,3-b]pyridine
CID 166882821
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802916
2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134191374

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol (CID 146172074) is 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol is OCCC1CCN(c2ccc(-c3cc4ccccc4s3)cn2)CC1.
What is the InChIKey of 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol?
The InChIKey is KTGODXJJGJAZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-12-9-15-7-10-22(11-8-15)20-6-5-17(14-21-20)19-13-16-3-1-2-4-18(16)24-19/h1-6,13-15,23H,7-12H2.
What are the key properties of 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol?
2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol has a molecular weight of 338.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 146172074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).