2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone

C13H24N2O2 — CID 60645002

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCC(CO)C1)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c16-11-12-5-4-6-14(9-12)10-13(17)15-7-2-1-3-8-15/h12,16H,1-11H2
InChIKeyLPGGBWMITFLJJM-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.70
Rot. Bonds3

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

2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 60645002) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID60645002
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCC(CO)C1)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c16-11-12-5-4-6-14(9-12)10-13(17)15-7-2-1-3-8-15/h12,16H,1-11H2
InChIKeyLPGGBWMITFLJJM-UHFFFAOYSA-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 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone (CID 60645002) is 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCCC(CO)C1)N1CCCCC1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is LPGGBWMITFLJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-11-12-5-4-6-14(9-12)10-13(17)15-7-2-1-3-8-15/h12,16H,1-11H2.
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone 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 2-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 60645002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).