[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone

C12H17NO2S — CID 121200642

IUPAC[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(CCO)CC1
InChIInChI=1S/C12H17NO2S/c14-8-5-10-3-6-13(7-4-10)12(15)11-2-1-9-16-11/h1-2,9-10,14H,3-8H2
InChIKeyLLHYPGWBFIFGQL-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.98
Rot. Bonds3

About [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 121200642) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID121200642
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(CCO)CC1
InChIInChI=1S/C12H17NO2S/c14-8-5-10-3-6-13(7-4-10)12(15)11-2-1-9-16-11/h1-2,9-10,14H,3-8H2
InChIKeyLLHYPGWBFIFGQL-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
[3-(2-bromoethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801408
[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801038
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
CID 10588916
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
4-[[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95873674
N-[(4-fluorophenyl)methyl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 25381636

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 121200642) is [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is LLHYPGWBFIFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-8-5-10-3-6-13(7-4-10)12(15)11-2-1-9-16-11/h1-2,9-10,14H,3-8H2.
What are the key properties of [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 239.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 121200642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).