1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone

C14H26N2O2 — CID 107226024

IUPAC1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H](O)C1)N1CCCCCCC1
InChIInChI=1S/C14H26N2O2/c17-13-7-6-8-15(11-13)12-14(18)16-9-4-2-1-3-5-10-16/h13,17H,1-12H2/t13-/m0/s1
InChIKeyQUTLCARTINJIQW-ZDUSSCGKSA-N
MW254.37 g/mol
LogP1.24
Rot. Bonds2

About 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone

1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 107226024) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID107226024
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H](O)C1)N1CCCCCCC1
InChIInChI=1S/C14H26N2O2/c17-13-7-6-8-15(11-13)12-14(18)16-9-4-2-1-3-5-10-16/h13,17H,1-12H2/t13-/m0/s1
InChIKeyQUTLCARTINJIQW-ZDUSSCGKSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
2-(4-aminopiperidin-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107222871
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 95862187

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone (CID 107226024) is 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone is O=C(CN1CCC[C@H](O)C1)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is QUTLCARTINJIQW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-13-7-6-8-15(11-13)12-14(18)16-9-4-2-1-3-5-10-16/h13,17H,1-12H2/t13-/m0/s1.
What are the key properties of 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 107226024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).