1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone

C8H15NO2 — CID 129394019

IUPAC1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C8H15NO2/c1-6-5-9(7(2)10)4-3-8(6)11/h6,8,11H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyZKWIABBWJNENHE-POYBYMJQSA-N
MW157.21 g/mol
LogP0.24
Rot. Bonds

About 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone

1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone (PubChem CID 129394019) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
PubChem CID129394019
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C8H15NO2/c1-6-5-9(7(2)10)4-3-8(6)11/h6,8,11H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyZKWIABBWJNENHE-POYBYMJQSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114501609
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
1-(4-hydroxy-3-methylpiperidin-1-yl)but-2-yn-1-one
CID 107989675
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 114679928
3-chloro-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380940

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone (CID 129394019) is 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone is CC(=O)N1CC[C@@H](O)[C@@H](C)C1.
What is the InChIKey of 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone?
The InChIKey is ZKWIABBWJNENHE-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-5-9(7(2)10)4-3-8(6)11/h6,8,11H,3-5H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone?
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 129394019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).