1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone

C11H21NO2 — CID 147601847

IUPAC1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(COC(C)C)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)14-8-11-4-6-12(7-5-11)10(3)13/h9,11H,4-8H2,1-3H3
InChIKeyGAHMMJNRFIUFCN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone

1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone (PubChem CID 147601847) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
PubChem CID147601847
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(COC(C)C)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)14-8-11-4-6-12(7-5-11)10(3)13/h9,11H,4-8H2,1-3H3
InChIKeyGAHMMJNRFIUFCN-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 165372802
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone (CID 147601847) is 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(COC(C)C)CC1.
What is the InChIKey of 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone?
The InChIKey is GAHMMJNRFIUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)14-8-11-4-6-12(7-5-11)10(3)13/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone?
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 147601847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).