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

C13H24N2O2 — CID 43590540

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCCC(CO)C1
InChIInChI=1S/C13H24N2O2/c16-10-12-2-1-7-15(9-12)13(17)8-11-3-5-14-6-4-11/h11-12,14,16H,1-10H2
InChIKeyLEHMNWHWNLKYRK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds3

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

1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 43590540) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
PubChem CID43590540
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCCC(CO)C1
InChIInChI=1S/C13H24N2O2/c16-10-12-2-1-7-15(9-12)13(17)8-11-3-5-14-6-4-11/h11-12,14,16H,1-10H2
InChIKeyLEHMNWHWNLKYRK-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone (CID 43590540) is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)N1CCCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is LEHMNWHWNLKYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-10-12-2-1-7-15(9-12)13(17)8-11-3-5-14-6-4-11/h11-12,14,16H,1-10H2.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone?
1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 43590540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).