1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one

C14H27NO2 — CID 115276032

IUPAC1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
SMILESCCCCCCC(=O)N1CCC(O)CC1(C)C
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-13(17)15-10-9-12(16)11-14(15,2)3/h12,16H,4-11H2,1-3H3
InChIKeyDTMOZKCKHFKMMS-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.72
Rot. Bonds5

About 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one

1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one (PubChem CID 115276032) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
PubChem CID115276032
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
SMILESCCCCCCC(=O)N1CCC(O)CC1(C)C
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-13(17)15-10-9-12(16)11-14(15,2)3/h12,16H,4-11H2,1-3H3
InChIKeyDTMOZKCKHFKMMS-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one (CID 115276032) is 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one is CCCCCCC(=O)N1CCC(O)CC1(C)C.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one?
The InChIKey is DTMOZKCKHFKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-6-7-8-13(17)15-10-9-12(16)11-14(15,2)3/h12,16H,4-11H2,1-3H3.
What are the key properties of 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one?
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one is sourced from PubChem (CID 115276032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).