[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

C11H20N2O2 — CID 63005263

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCCC1CO
InChIInChI=1S/C11H20N2O2/c14-8-10-3-1-2-6-13(10)11(15)9-4-5-12-7-9/h9-10,12,14H,1-8H2
InChIKeyWZUMYZJDYCWXBH-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds2

About [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 63005263) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID63005263
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCCC1CO
InChIInChI=1S/C11H20N2O2/c14-8-10-3-1-2-6-13(10)11(15)9-4-5-12-7-9/h9-10,12,14H,1-8H2
InChIKeyWZUMYZJDYCWXBH-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201544
[(2R)-2-(methoxymethyl)piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129359593
[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119802221
[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone
CID 114278715
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone
CID 116634917
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 63715085
[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
CID 63103994
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (CID 63005263) is [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is WZUMYZJDYCWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-8-10-3-1-2-6-13(10)11(15)9-4-5-12-7-9/h9-10,12,14H,1-8H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 212.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 63005263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).