2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one

C11H19NO3 — CID 23558558

IUPAC2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one
SMILESCC1(O)CC(N2CCCCC2)C(O)C1=O
InChIInChI=1S/C11H19NO3/c1-11(15)7-8(9(13)10(11)14)12-5-3-2-4-6-12/h8-9,13,15H,2-7H2,1H3
InChIKeyGKXSMLAIDPVBDV-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.07
Rot. Bonds1

About 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one

2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one (PubChem CID 23558558) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one.

Molecular Properties

Compound Name2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one
PubChem CID23558558
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one
SMILESCC1(O)CC(N2CCCCC2)C(O)C1=O
InChIInChI=1S/C11H19NO3/c1-11(15)7-8(9(13)10(11)14)12-5-3-2-4-6-12/h8-9,13,15H,2-7H2,1H3
InChIKeyGKXSMLAIDPVBDV-UHFFFAOYSA-N
XLogP-0.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione
CID 54151225
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
1-[(2R)-2-methylcyclopentyl]piperidine
CID 59715874
cis-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (1S,2R)-2-bromo-1-methylcyclopropane-1-carboxylate
CID 11875175
(2S,4S,5R)-5-ethyl-2-hydroxy-2-methyl-4-(pyrrolidine-1-carbonyl)cyclopentan-1-one
CID 154714794
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764
CID 102063381
CID 102063381
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one?
The IUPAC name of 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one (CID 23558558) is 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one.
What is the SMILES notation for 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one?
The canonical SMILES for 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one is CC1(O)CC(N2CCCCC2)C(O)C1=O.
What is the InChIKey of 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one?
The InChIKey is GKXSMLAIDPVBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(15)7-8(9(13)10(11)14)12-5-3-2-4-6-12/h8-9,13,15H,2-7H2,1H3.
What are the key properties of 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one?
2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one has a molecular weight of 213.28 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one is sourced from PubChem (CID 23558558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).