2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol

C17H21NOS — CID 111858444

IUPAC2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
SMILESOC(CC1CCCN1Cc1ccccc1)c1cccs1
InChIInChI=1S/C17H21NOS/c19-16(17-9-5-11-20-17)12-15-8-4-10-18(15)13-14-6-2-1-3-7-14/h1-3,5-7,9,11,15-16,19H,4,8,10,12-13H2
InChIKeyRNSUTUAHOJQXAZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.84
Rot. Bonds5

About 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol

2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol (PubChem CID 111858444) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
PubChem CID111858444
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
SMILESOC(CC1CCCN1Cc1ccccc1)c1cccs1
InChIInChI=1S/C17H21NOS/c19-16(17-9-5-11-20-17)12-15-8-4-10-18(15)13-14-6-2-1-3-7-14/h1-3,5-7,9,11,15-16,19H,4,8,10,12-13H2
InChIKeyRNSUTUAHOJQXAZ-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858547
3-[[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029381
2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858445
4-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]butanoic acid
CID 119149321
(1S)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 125142004
2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858466
2-[1-(quinoxalin-2-ylmethyl)azepan-2-yl]-1-thiophen-2-ylethanol
CID 136552433
(1R)-2-[(2R)-1-(1,3-dioxolan-2-ylmethyl)azepan-2-yl]-1-thiophen-2-ylethanol
CID 97339166
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
2-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111916361
3-[[2-(2-hydroxy-2-thiophen-2-ylethyl)azepan-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768252
ethyl 3-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]propanoate
CID 111858454

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol (CID 111858444) is 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol is OC(CC1CCCN1Cc1ccccc1)c1cccs1.
What is the InChIKey of 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol?
The InChIKey is RNSUTUAHOJQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-16(17-9-5-11-20-17)12-15-8-4-10-18(15)13-14-6-2-1-3-7-14/h1-3,5-7,9,11,15-16,19H,4,8,10,12-13H2.
What are the key properties of 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol?
2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol has a molecular weight of 287.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 111858444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).