[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone

C11H20N2O2 — CID 129394437

IUPAC[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CC[C@@H](CO)C1
InChIInChI=1S/C11H20N2O2/c14-8-9-3-6-13(7-9)11(15)10-1-4-12-5-2-10/h9-10,12,14H,1-8H2/t9-/m1/s1
InChIKeyJDZBBOVLFYTOHE-SECBINFHSA-N
MW212.29 g/mol
LogP-0.17
Rot. Bonds2

About [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 129394437) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
PubChem CID129394437
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CC[C@@H](CO)C1
InChIInChI=1S/C11H20N2O2/c14-8-9-3-6-13(7-9)11(15)10-1-4-12-5-2-10/h9-10,12,14H,1-8H2/t9-/m1/s1
InChIKeyJDZBBOVLFYTOHE-SECBINFHSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62372380
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119345602
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371831
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 154910982
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone (CID 129394437) is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is JDZBBOVLFYTOHE-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-8-9-3-6-13(7-9)11(15)10-1-4-12-5-2-10/h9-10,12,14H,1-8H2/t9-/m1/s1.
What are the key properties of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 212.29 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 129394437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).