ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one

C15H30N2O3 — CID 142427560

IUPACethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC(N2CCOC(CO)C2)CC1
InChIInChI=1S/C13H24N2O3.C2H6/c1-2-13(17)14-5-3-11(4-6-14)15-7-8-18-12(9-15)10-16;1-2/h11-12,16H,2-10H2,1H3;1-2H3
InChIKeyKFMQVJKMRQMOST-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.11
Rot. Bonds3

About ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one

ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 142427560) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID142427560
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC(N2CCOC(CO)C2)CC1
InChIInChI=1S/C13H24N2O3.C2H6/c1-2-13(17)14-5-3-11(4-6-14)15-7-8-18-12(9-15)10-16;1-2/h11-12,16H,2-10H2,1H3;1-2H3
InChIKeyKFMQVJKMRQMOST-UHFFFAOYSA-N
XLogP1.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one (CID 142427560) is ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one is CC.CCC(=O)N1CCC(N2CCOC(CO)C2)CC1.
What is the InChIKey of ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is KFMQVJKMRQMOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C2H6/c1-2-13(17)14-5-3-11(4-6-14)15-7-8-18-12(9-15)10-16;1-2/h11-12,16H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one?
ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 142427560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).