2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol

C12H18N2O — CID 71999794

IUPAC2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2cccnc2)C1
InChIInChI=1S/C12H18N2O/c15-7-4-11-3-6-14(9-11)10-12-2-1-5-13-8-12/h1-2,5,8,11,15H,3-4,6-7,9-10H2
InChIKeyJCTUMQILLNXMBO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.29
Rot. Bonds4

About 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol

2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol (PubChem CID 71999794) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol
PubChem CID71999794
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2cccnc2)C1
InChIInChI=1S/C12H18N2O/c15-7-4-11-3-6-14(9-11)10-12-2-1-5-13-8-12/h1-2,5,8,11,15H,3-4,6-7,9-10H2
InChIKeyJCTUMQILLNXMBO-UHFFFAOYSA-N
XLogP1.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridinepropanol
CID 17861
4-Pyridineethanol
CID 72921
4-(2-Pyrrolidinoethyl)pyridine
CID 238432
3-Pyridineethanol
CID 80515
4-Pyridinepropanol
CID 72923
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
N-(3-Pyridylmethyl)Pyrrolidine
CID 67786
3-Pyridinealdoxime O-isoamyl ether
CID 9561243
2'-Hydroxynicotine
CID 23615292
(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960091
[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960092

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol (CID 71999794) is 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(Cc2cccnc2)C1.
What is the InChIKey of 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JCTUMQILLNXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-7-4-11-3-6-14(9-11)10-12-2-1-5-13-8-12/h1-2,5,8,11,15H,3-4,6-7,9-10H2.
What are the key properties of 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol?
2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 71999794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).