2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone

C15H28N2O2 — CID 107407870

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CN2CCCC(C)(O)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-13-5-3-9-17(11-13)14(18)12-16-8-4-6-15(2,19)7-10-16/h13,19H,3-12H2,1-2H3
InChIKeyXAEXHYZORNQZQC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds2

About 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone

2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 107407870) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID107407870
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CN2CCCC(C)(O)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-13-5-3-9-17(11-13)14(18)12-16-8-4-6-15(2,19)7-10-16/h13,19H,3-12H2,1-2H3
InChIKeyXAEXHYZORNQZQC-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone (CID 107407870) is 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CN2CCCC(C)(O)CC2)C1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is XAEXHYZORNQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13-5-3-9-17(11-13)14(18)12-16-8-4-6-15(2,19)7-10-16/h13,19H,3-12H2,1-2H3.
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107407870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).