ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one

C10H21NO2 — CID 145216334

IUPACethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC.CCC(=O)N1CCC(O)CC1
InChIInChI=1S/C8H15NO2.C2H6/c1-2-8(11)9-5-3-7(10)4-6-9;1-2/h7,10H,2-6H2,1H3;1-2H3
InChIKeyNLSOBZIURDIWAN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.41
Rot. Bonds1

About ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one

ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 145216334) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID145216334
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC.CCC(=O)N1CCC(O)CC1
InChIInChI=1S/C8H15NO2.C2H6/c1-2-8(11)9-5-3-7(10)4-6-9;1-2/h7,10H,2-6H2,1H3;1-2H3
InChIKeyNLSOBZIURDIWAN-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 145216334) is ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one is CC.CCC(=O)N1CCC(O)CC1.
What is the InChIKey of ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is NLSOBZIURDIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-2-8(11)9-5-3-7(10)4-6-9;1-2/h7,10H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one?
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 187.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 145216334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).