2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol

C14H22N2O2 — CID 114799563

IUPAC2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCCc1cc(CO)cc(N2CCC(CCO)C2)n1
InChIInChI=1S/C14H22N2O2/c1-2-13-7-12(10-18)8-14(15-13)16-5-3-11(9-16)4-6-17/h7-8,11,17-18H,2-6,9-10H2,1H3
InChIKeyQKHYVGHZFJEPSI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds5

About 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol

2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 114799563) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID114799563
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCCc1cc(CO)cc(N2CCC(CCO)C2)n1
InChIInChI=1S/C14H22N2O2/c1-2-13-7-12(10-18)8-14(15-13)16-5-3-11(9-16)4-6-17/h7-8,11,17-18H,2-6,9-10H2,1H3
InChIKeyQKHYVGHZFJEPSI-UHFFFAOYSA-N
XLogP1.35
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 113380422
2-[1-[4-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228576
[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol
CID 113380521
[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 113380522
2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796912
[2-(2,3-dimethylpiperidin-1-yl)-6-ethyl-4-pyridinyl]methanol
CID 113380499
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796899
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
2-[1-(5-chloropyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 130986944
[2-(3-methoxypiperidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 102964270
2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228577

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 114799563) is 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol is CCc1cc(CO)cc(N2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is QKHYVGHZFJEPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-13-7-12(10-18)8-14(15-13)16-5-3-11(9-16)4-6-17/h7-8,11,17-18H,2-6,9-10H2,1H3.
What are the key properties of 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).