1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol

C15H30N2O2 — CID 157192743

IUPAC1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol
SMILESCC(=O)C1CCCN(C)C1.CN1CCCC(CO)C1
InChIInChI=1S/C8H15NO.C7H15NO/c1-7(10)8-4-3-5-9(2)6-8;1-8-4-2-3-7(5-8)6-9/h8H,3-6H2,1-2H3;7,9H,2-6H2,1H3
InChIKeyAPWVIHYBWKYVNF-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds2

About 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol

1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol (PubChem CID 157192743) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol
PubChem CID157192743
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol
SMILESCC(=O)C1CCCN(C)C1.CN1CCCC(CO)C1
InChIInChI=1S/C8H15NO.C7H15NO/c1-7(10)8-4-3-5-9(2)6-8;1-8-4-2-3-7(5-8)6-9/h8H,3-6H2,1-2H3;7,9H,2-6H2,1H3
InChIKeyAPWVIHYBWKYVNF-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol?
The IUPAC name of 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol (CID 157192743) is 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol is CC(=O)C1CCCN(C)C1.CN1CCCC(CO)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol?
The InChIKey is APWVIHYBWKYVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C7H15NO/c1-7(10)8-4-3-5-9(2)6-8;1-8-4-2-3-7(5-8)6-9/h8H,3-6H2,1-2H3;7,9H,2-6H2,1H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol?
1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 157192743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).