1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

C14H27NO4 — CID 72914663

IUPAC1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOCCC1(CO)CCCN(C(=O)C(C)(C)OC)C1
InChIInChI=1S/C14H27NO4/c1-13(2,19-4)12(17)15-8-5-6-14(10-15,11-16)7-9-18-3/h16H,5-11H2,1-4H3
InChIKeyFGCXBQGWZHLYMB-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.05
Rot. Bonds6

About 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 72914663) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID72914663
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOCCC1(CO)CCCN(C(=O)C(C)(C)OC)C1
InChIInChI=1S/C14H27NO4/c1-13(2,19-4)12(17)15-8-5-6-14(10-15,11-16)7-9-18-3/h16H,5-11H2,1-4H3
InChIKeyFGCXBQGWZHLYMB-UHFFFAOYSA-N
XLogP1.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 72914663) is 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is COCCC1(CO)CCCN(C(=O)C(C)(C)OC)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is FGCXBQGWZHLYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-13(2,19-4)12(17)15-8-5-6-14(10-15,11-16)7-9-18-3/h16H,5-11H2,1-4H3.
What are the key properties of 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 273.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 72914663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).