1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone

C9H17NO3 — CID 123601967

IUPAC1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(CCO)CC1
InChIInChI=1S/C9H17NO3/c1-8(12)10-5-2-9(13,3-6-10)4-7-11/h11,13H,2-7H2,1H3
InChIKeyIGWZOVQNXTZSNX-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.26
Rot. Bonds2

About 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone

1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 123601967) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID123601967
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(CCO)CC1
InChIInChI=1S/C9H17NO3/c1-8(12)10-5-2-9(13,3-6-10)4-7-11/h11,13H,2-7H2,1H3
InChIKeyIGWZOVQNXTZSNX-UHFFFAOYSA-N
XLogP-0.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
1-[4-hydroxy-4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 39243445
1-(1-acetyl-4-hydroxypiperidin-4-yl)ethanone
CID 15117211
1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid
CID 146658373
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane
CID 145241968
1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
CID 82411727
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
3-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]propanoic acid
CID 83266385
1-(4-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 131155505

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 123601967) is 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(O)(CCO)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is IGWZOVQNXTZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(12)10-5-2-9(13,3-6-10)4-7-11/h11,13H,2-7H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone?
1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 187.24 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 123601967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).