1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one

C12H23NO2 — CID 79199279

IUPAC1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one
SMILESCC1CCN(C(=O)CCCCO)C(C)C1
InChIInChI=1S/C12H23NO2/c1-10-6-7-13(11(2)9-10)12(15)5-3-4-8-14/h10-11,14H,3-9H2,1-2H3
InChIKeyKJHFCASLUFOFSW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.80
Rot. Bonds4

About 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one

1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one (PubChem CID 79199279) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one
PubChem CID79199279
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one
SMILESCC1CCN(C(=O)CCCCO)C(C)C1
InChIInChI=1S/C12H23NO2/c1-10-6-7-13(11(2)9-10)12(15)5-3-4-8-14/h10-11,14H,3-9H2,1-2H3
InChIKeyKJHFCASLUFOFSW-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.80
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

1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
CID 130690746
tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
CID 62330169
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
CID 145048176
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
5-bromo-1-(2,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 107910664
6-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 62331104
2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone
CID 64676833
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-hydroxypentan-1-one
CID 82753304
3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one
CID 170135646
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one?
The IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one (CID 79199279) is 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one.
What is the SMILES notation for 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one?
The canonical SMILES for 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one is CC1CCN(C(=O)CCCCO)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one?
The InChIKey is KJHFCASLUFOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-6-7-13(11(2)9-10)12(15)5-3-4-8-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one?
1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one is sourced from PubChem (CID 79199279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).