[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

C12H22N2O2 — CID 63715085

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H22N2O2/c1-9-6-13-7-11(9)12(16)14-5-3-2-4-10(14)8-15/h9-11,13,15H,2-8H2,1H3
InChIKeyJXXHDELRPFNZBD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds2

About [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 63715085) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
PubChem CID63715085
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H22N2O2/c1-9-6-13-7-11(9)12(16)14-5-3-2-4-10(14)8-15/h9-11,13,15H,2-8H2,1H3
InChIKeyJXXHDELRPFNZBD-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (CID 63715085) is [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is JXXHDELRPFNZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-6-13-7-11(9)12(16)14-5-3-2-4-10(14)8-15/h9-11,13,15H,2-8H2,1H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.22, 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]-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63715085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).