1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone

C13H23NO2 — CID 63845675

IUPAC1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCOCC1
InChIInChI=1S/C13H23NO2/c1-11(15)13-4-2-3-7-14(13)10-12-5-8-16-9-6-12/h12-13H,2-10H2,1H3
InChIKeyQZZYSMUYRATACZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds3

About 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone

1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone (PubChem CID 63845675) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone
PubChem CID63845675
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCOCC1
InChIInChI=1S/C13H23NO2/c1-11(15)13-4-2-3-7-14(13)10-12-5-8-16-9-6-12/h12-13H,2-10H2,1H3
InChIKeyQZZYSMUYRATACZ-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
methyl 1-(oxan-4-ylmethyl)pyrrolidine-2-carboxylate
CID 62385917
1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 61313231
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
CID 79610693
1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
CID 63844987
2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 62386446
tert-butyl (2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylate
CID 81002974
tert-butyl (2R)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylate
CID 80709054
1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
CID 63844463
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone
CID 65476989

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone (CID 63845675) is 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CC1CCOCC1.
What is the InChIKey of 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone?
The InChIKey is QZZYSMUYRATACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(15)13-4-2-3-7-14(13)10-12-5-8-16-9-6-12/h12-13H,2-10H2,1H3.
What are the key properties of 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone?
1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone has a molecular weight of 225.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63845675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).