[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C14H20N2O3 — CID 86771534

IUPAC[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOCCC1(CO)CCCN1C(=O)c1ccncc1
InChIInChI=1S/C14H20N2O3/c1-19-10-6-14(11-17)5-2-9-16(14)13(18)12-3-7-15-8-4-12/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyXEVJRZNFPFRMAU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.09
Rot. Bonds5

About [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 86771534) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID86771534
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOCCC1(CO)CCCN1C(=O)c1ccncc1
InChIInChI=1S/C14H20N2O3/c1-19-10-6-14(11-17)5-2-9-16(14)13(18)12-3-7-15-8-4-12/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyXEVJRZNFPFRMAU-UHFFFAOYSA-N
XLogP1.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97493563
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
1-(4-cyanobenzoyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 167962167
(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99841748
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
furan-3-yl-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837225
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide
CID 132777303

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 86771534) is [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is COCCC1(CO)CCCN1C(=O)c1ccncc1.
What is the InChIKey of [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is XEVJRZNFPFRMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-10-6-14(11-17)5-2-9-16(14)13(18)12-3-7-15-8-4-12/h3-4,7-8,17H,2,5-6,9-11H2,1H3.
What are the key properties of [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 264.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 86771534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).