[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C17H25NO2S — CID 60742649

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCC1CCc2c(C(=O)N3CCCCC3CCO)csc2C1
InChIInChI=1S/C17H25NO2S/c1-12-5-6-14-15(11-21-16(14)10-12)17(20)18-8-3-2-4-13(18)7-9-19/h11-13,19H,2-10H2,1H3
InChIKeyVNNXKKQCOUDDOQ-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.25
Rot. Bonds3

About [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 60742649) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID60742649
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCC1CCc2c(C(=O)N3CCCCC3CCO)csc2C1
InChIInChI=1S/C17H25NO2S/c1-12-5-6-14-15(11-21-16(14)10-12)17(20)18-8-3-2-4-13(18)7-9-19/h11-13,19H,2-10H2,1H3
InChIKeyVNNXKKQCOUDDOQ-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236486
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
(4-ethylpiperazin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236090
ethyl 4-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazine-1-carboxylate
CID 78795941
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 7872422
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
2-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61372064
3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
CID 90757369
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
[4-(cyclopropylmethylamino)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone;hydrochloride
CID 119624612
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66378378
[3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 132765240

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 60742649) is [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is CC1CCc2c(C(=O)N3CCCCC3CCO)csc2C1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is VNNXKKQCOUDDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-5-6-14-15(11-21-16(14)10-12)17(20)18-8-3-2-4-13(18)7-9-19/h11-13,19H,2-10H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 307.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 60742649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).