1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone

C13H25NO2 — CID 118309199

IUPAC1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone
SMILESCOCC1(C(C)=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-11(15)13(10-16-5)6-8-14(9-7-13)12(2,3)4/h6-10H2,1-5H3
InChIKeyKUVFVFZAGGHCBK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds3

About 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone

1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone (PubChem CID 118309199) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone
PubChem CID118309199
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone
SMILESCOCC1(C(C)=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-11(15)13(10-16-5)6-8-14(9-7-13)12(2,3)4/h6-10H2,1-5H3
InChIKeyKUVFVFZAGGHCBK-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid
CID 115030206
[1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate
CID 90419634
1-tert-butyl-4-methoxypiperidine-4-carboxylic acid
CID 105468787
1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone
CID 129060789
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
1-tert-butylpiperidine-4,4-dicarboxylic acid
CID 117007985
2-[(1-acetylcyclopropyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 20595003
1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
CID 58993905
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750

Frequently Asked Questions

What is the IUPAC name of 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone (CID 118309199) is 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone is COCC1(C(C)=O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone?
The InChIKey is KUVFVFZAGGHCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(15)13(10-16-5)6-8-14(9-7-13)12(2,3)4/h6-10H2,1-5H3.
What are the key properties of 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone?
1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone has a molecular weight of 227.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 118309199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).