2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol

C16H20N2OS — CID 111858547

IUPAC2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
SMILESOC(CC1CCCN1Cc1ccncc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c19-15(16-4-2-10-20-16)11-14-3-1-9-18(14)12-13-5-7-17-8-6-13/h2,4-8,10,14-15,19H,1,3,9,11-12H2
InChIKeyHZKAAWJARIVYLB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.23
Rot. Bonds5

About 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol

2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol (PubChem CID 111858547) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
PubChem CID111858547
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
SMILESOC(CC1CCCN1Cc1ccncc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c19-15(16-4-2-10-20-16)11-14-3-1-9-18(14)12-13-5-7-17-8-6-13/h2,4-8,10,14-15,19H,1,3,9,11-12H2
InChIKeyHZKAAWJARIVYLB-UHFFFAOYSA-N
XLogP3.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
CID 111858444
1-[(2S)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 124615927
3-[[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029381
(1S)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 125142004
2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858445
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858466
4-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]butanoic acid
CID 119149321
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
(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 124734755
2-[1-(quinoxalin-2-ylmethyl)azepan-2-yl]-1-thiophen-2-ylethanol
CID 136552433

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol (CID 111858547) is 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol is OC(CC1CCCN1Cc1ccncc1)c1cccs1.
What is the InChIKey of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The InChIKey is HZKAAWJARIVYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-15(16-4-2-10-20-16)11-14-3-1-9-18(14)12-13-5-7-17-8-6-13/h2,4-8,10,14-15,19H,1,3,9,11-12H2.
What are the key properties of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol?
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol has a molecular weight of 288.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 111858547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).