ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C16H32N2O2 — CID 156799298

IUPACethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC.CCC1CCN(CC(=O)N2CCC(CO)C2)CC1
InChIInChI=1S/C14H26N2O2.C2H6/c1-2-12-3-6-15(7-4-12)10-14(18)16-8-5-13(9-16)11-17;1-2/h12-13,17H,2-11H2,1H3;1-2H3
InChIKeyLCAIYEZQSRENHG-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.98
Rot. Bonds4

About ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 156799298) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID156799298
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC.CCC1CCN(CC(=O)N2CCC(CO)C2)CC1
InChIInChI=1S/C14H26N2O2.C2H6/c1-2-12-3-6-15(7-4-12)10-14(18)16-8-5-13(9-16)11-17;1-2/h12-13,17H,2-11H2,1H3;1-2H3
InChIKeyLCAIYEZQSRENHG-UHFFFAOYSA-N
XLogP1.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(4-ethylpiperazin-1-yl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 162725519
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404
2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone
CID 177001050
1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
CID 67583660
2-(4-aminopiperidin-1-yl)-1-(3-ethylpiperidin-1-yl)ethanone
CID 79327467
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60768713
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 114875391
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 156799298) is ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is CC.CCC1CCN(CC(=O)N2CCC(CO)C2)CC1.
What is the InChIKey of ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is LCAIYEZQSRENHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.C2H6/c1-2-12-3-6-15(7-4-12)10-14(18)16-8-5-13(9-16)11-17;1-2/h12-13,17H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 284.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 156799298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).