[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone

C13H24N2O3 — CID 82044811

IUPAC[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCCNCC1(O)CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C13H24N2O3/c1-2-14-10-13(17)5-7-15(8-6-13)12(16)11-4-3-9-18-11/h11,14,17H,2-10H2,1H3
InChIKeyQHQHNQCMDZKDKH-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds4

About [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone

[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 82044811) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID82044811
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCCNCC1(O)CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C13H24N2O3/c1-2-14-10-13(17)5-7-15(8-6-13)12(16)11-4-3-9-18-11/h11,14,17H,2-10H2,1H3
InChIKeyQHQHNQCMDZKDKH-UHFFFAOYSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
CID 113282965
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
N-ethyl-N'-[(1-methylcyclopropyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 119161331
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one
CID 62837418
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 60937548
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
N-ethyl-4-(oxolane-2-carbonyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 111302220

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone (CID 82044811) is [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone is CCNCC1(O)CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is QHQHNQCMDZKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-14-10-13(17)5-7-15(8-6-13)12(16)11-4-3-9-18-11/h11,14,17H,2-10H2,1H3.
What are the key properties of [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone?
[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 82044811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).