1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one

C10H19NO2 — CID 130621072

IUPAC1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C(C)O
InChIInChI=1S/C10H19NO2/c1-3-10(13)11-7-5-4-6-9(11)8(2)12/h8-9,12H,3-7H2,1-2H3
InChIKeyZAWVHOICJJEQKJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds2

About 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one

1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 130621072) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID130621072
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C(C)O
InChIInChI=1S/C10H19NO2/c1-3-10(13)11-7-5-4-6-9(11)8(2)12/h8-9,12H,3-7H2,1-2H3
InChIKeyZAWVHOICJJEQKJ-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 129371127
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129371121
1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
CID 174408643
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493927
(2S)-2-amino-1-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493925
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 130621072) is 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1C(C)O.
What is the InChIKey of 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ZAWVHOICJJEQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-10(13)11-7-5-4-6-9(11)8(2)12/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 130621072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).