1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone

C14H25NO2 — CID 110855934

IUPAC1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone
SMILESCCC1CCCCN1C(=O)CC1CCCOC1
InChIInChI=1S/C14H25NO2/c1-2-13-7-3-4-8-15(13)14(16)10-12-6-5-9-17-11-12/h12-13H,2-11H2,1H3
InChIKeyPBVACTQUGDNPOO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone

1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone (PubChem CID 110855934) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone
PubChem CID110855934
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone
SMILESCCC1CCCCN1C(=O)CC1CCCOC1
InChIInChI=1S/C14H25NO2/c1-2-13-7-3-4-8-15(13)14(16)10-12-6-5-9-17-11-12/h12-13H,2-11H2,1H3
InChIKeyPBVACTQUGDNPOO-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
CID 112701871
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
CID 119632044
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 60974700
2-(2-aminocyclohexyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 55116461
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109003227
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone (CID 110855934) is 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone is CCC1CCCCN1C(=O)CC1CCCOC1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone?
The InChIKey is PBVACTQUGDNPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-13-7-3-4-8-15(13)14(16)10-12-6-5-9-17-11-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone is sourced from PubChem (CID 110855934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).