1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C13H19NO2S — CID 121200714

IUPAC1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(CCO)CC1
InChIInChI=1S/C13H19NO2S/c15-7-3-11-1-5-14(6-2-11)13(16)9-12-4-8-17-10-12/h4,8,10-11,15H,1-3,5-7,9H2
InChIKeyLVTUPAAPARUOIT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 121200714) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID121200714
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(CCO)CC1
InChIInChI=1S/C13H19NO2S/c15-7-3-11-1-5-14(6-2-11)13(16)9-12-4-8-17-10-12/h4,8,10-11,15H,1-3,5-7,9H2
InChIKeyLVTUPAAPARUOIT-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 118771293
tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate
CID 71647148
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 136527078
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
CID 61129944
1-(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-2-thiophen-3-ylethanone
CID 121191578
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97396890
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 121200714) is 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is LVTUPAAPARUOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-7-3-11-1-5-14(6-2-11)13(16)9-12-4-8-17-10-12/h4,8,10-11,15H,1-3,5-7,9H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 253.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 121200714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).