5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one

C13H25NO2 — CID 103503955

IUPAC5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
SMILESCC(C)C1CCN(C(=O)CCCCO)CC1
InChIInChI=1S/C13H25NO2/c1-11(2)12-6-8-14(9-7-12)13(16)5-3-4-10-15/h11-12,15H,3-10H2,1-2H3
InChIKeyMNYQHPXAQBDKCD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.04
Rot. Bonds5

About 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one

5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one (PubChem CID 103503955) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
PubChem CID103503955
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
SMILESCC(C)C1CCN(C(=O)CCCCO)CC1
InChIInChI=1S/C13H25NO2/c1-11(2)12-6-8-14(9-7-12)13(16)5-3-4-10-15/h11-12,15H,3-10H2,1-2H3
InChIKeyMNYQHPXAQBDKCD-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
1-(5-hydroxypentanoyl)piperidine-4-carboxamide
CID 79199439
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
CID 79209523
1-(4-cyclopropylpiperazin-1-yl)-5-hydroxypentan-1-one
CID 79199162
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697
N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
CID 102737035

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one (CID 103503955) is 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one is CC(C)C1CCN(C(=O)CCCCO)CC1.
What is the InChIKey of 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The InChIKey is MNYQHPXAQBDKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)12-6-8-14(9-7-12)13(16)5-3-4-10-15/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 103503955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).