1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C14H21NO2S — CID 62358113

IUPAC1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCCC(CCO)C1
InChIInChI=1S/C14H21NO2S/c16-9-7-12-3-1-8-15(11-12)14(17)6-5-13-4-2-10-18-13/h2,4,10,12,16H,1,3,5-9,11H2
InChIKeyIWSRVGYXESYAIA-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.30
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 62358113) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID62358113
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCCC(CCO)C1
InChIInChI=1S/C14H21NO2S/c16-9-7-12-3-1-8-15(11-12)14(17)6-5-13-4-2-10-18-13/h2,4,10,12,16H,1,3,5-9,11H2
InChIKeyIWSRVGYXESYAIA-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one 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

(3S*,4R*)-1-[3-(2,4-difluorophenyl)propanoyl]-4-(3-methyl-2-thienyl)piperidin-3-ol
CID 50970406
2-[(3R,4S)-3-[2-(diethylamino)ethyl]-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetic acid
CID 25312587
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53150832
3-(Pyrrolidin-1-ylmethyl)-1-[4-(2-thienyl)butanoyl]piperidin-3-ol
CID 70726337
Cyclopropyl(4-(thiophen-2-yl)piperidin-1-yl)methanone
CID 71786834
Cyclohex-3-en-1-yl(4-(thiophen-2-yl)piperidin-1-yl)methanone
CID 71787057
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[4-(2-thienyl)butanoyl]-4-piperidinol
CID 72879782
{3-(Cyclopropylmethyl)-1-[3-(2-thienyl)propanoyl]-3-piperidinyl}methanol
CID 72888762
(1R*,3S*)-3-(2-hydroxyethoxy)-7-[4-(2-thienyl)butanoyl]-7-azaspiro[3.5]nonan-1-ol
CID 72891916
{(3R*,4R*)-4-[(4-methylpiperazin-1-yl)methyl]-1-[4-(2-thienyl)butanoyl]pyrrolidin-3-yl}methanol
CID 72914056
(S)-5-morpholino-5-oxo-3-(2-thienyl)valeric acid
CID 94703343
N-[3-hydroxy-2-(2-thienylmethyl)propyl]-4-methylpiperidine-4-carboxamide
CID 72873831

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 62358113) is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCCC(CCO)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is IWSRVGYXESYAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-9-7-12-3-1-8-15(11-12)14(17)6-5-13-4-2-10-18-13/h2,4,10,12,16H,1,3,5-9,11H2.
What are the key properties of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 267.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 62358113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).