3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol

C15H21NO3S — CID 82691520

IUPAC3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(CN2CCC(OCCO)CC2)s1
InChIInChI=1S/C15H21NO3S/c17-9-1-2-14-3-4-15(20-14)12-16-7-5-13(6-8-16)19-11-10-18/h3-4,13,17-18H,5-12H2
InChIKeyUGUPBOXNSVVURA-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.07
Rot. Bonds5

About 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol

3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol (PubChem CID 82691520) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
PubChem CID82691520
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(CN2CCC(OCCO)CC2)s1
InChIInChI=1S/C15H21NO3S/c17-9-1-2-14-3-4-15(20-14)12-16-7-5-13(6-8-16)19-11-10-18/h3-4,13,17-18H,5-12H2
InChIKeyUGUPBOXNSVVURA-UHFFFAOYSA-N
XLogP1.07
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 74246113
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3-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)thiophen-2-yl]prop-2-yn-1-ol
CID 79934808
3-[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)thiophen-2-yl]prop-2-yn-1-ol
CID 56893045
3-[5-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 77092150
3-[5-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 99944965
(4S)-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-methylazepan-4-ol
CID 99930521
3-[5-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 135089383
3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 63973525
3-[5-[[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 46996370
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
3-[5-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 114779546

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol (CID 82691520) is 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol is OCC#Cc1ccc(CN2CCC(OCCO)CC2)s1.
What is the InChIKey of 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The InChIKey is UGUPBOXNSVVURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-9-1-2-14-3-4-15(20-14)12-16-7-5-13(6-8-16)19-11-10-18/h3-4,13,17-18H,5-12H2.
What are the key properties of 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol?
3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol has a molecular weight of 295.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 82691520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).