1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone

C13H24N2O3 — CID 63875668

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)N1CCC(CO)CC1
InChIInChI=1S/C13H24N2O3/c16-9-11-3-7-15(8-4-11)13(17)10-18-12-1-5-14-6-2-12/h11-12,14,16H,1-10H2
InChIKeyBWPLPUAVWGGTRV-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.01
Rot. Bonds4

About 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone

1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone (PubChem CID 63875668) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
PubChem CID63875668
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)N1CCC(CO)CC1
InChIInChI=1S/C13H24N2O3/c16-9-11-3-7-15(8-4-11)13(17)10-18-12-1-5-14-6-2-12/h11-12,14,16H,1-10H2
InChIKeyBWPLPUAVWGGTRV-UHFFFAOYSA-N
XLogP-0.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone (CID 63875668) is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone is O=C(COC1CCNCC1)N1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone?
The InChIKey is BWPLPUAVWGGTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-9-11-3-7-15(8-4-11)13(17)10-18-12-1-5-14-6-2-12/h11-12,14,16H,1-10H2.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone?
1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone has a molecular weight of 256.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 63875668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).