1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone

C13H24N2O2 — CID 100665546

IUPAC1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1CN1CCC(CO)CC1
InChIInChI=1S/C13H24N2O2/c1-11(17)15-6-2-3-13(15)9-14-7-4-12(10-16)5-8-14/h12-13,16H,2-10H2,1H3/t13-/m1/s1
InChIKeyLAMLPSDZADKNQK-CYBMUJFWSA-N
MW240.35 g/mol
LogP0.70
Rot. Bonds3

About 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 100665546) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID100665546
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1CN1CCC(CO)CC1
InChIInChI=1S/C13H24N2O2/c1-11(17)15-6-2-3-13(15)9-14-7-4-12(10-16)5-8-14/h12-13,16H,2-10H2,1H3/t13-/m1/s1
InChIKeyLAMLPSDZADKNQK-CYBMUJFWSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone (CID 100665546) is 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1CN1CCC(CO)CC1.
What is the InChIKey of 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is LAMLPSDZADKNQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(17)15-6-2-3-13(15)9-14-7-4-12(10-16)5-8-14/h12-13,16H,2-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 100665546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).