1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one

C17H33NO2 — CID 79536446

IUPAC1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C17H33NO2/c1-3-4-5-6-7-8-12-17(20)18-13-10-9-11-16(18)14-15(2)19/h15-16,19H,3-14H2,1-2H3
InChIKeyIHTACUKZWNJHIS-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.89
Rot. Bonds9

About 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one

1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one (PubChem CID 79536446) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
PubChem CID79536446
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C17H33NO2/c1-3-4-5-6-7-8-12-17(20)18-13-10-9-11-16(18)14-15(2)19/h15-16,19H,3-14H2,1-2H3
InChIKeyIHTACUKZWNJHIS-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.89
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-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[2-(2-bromopropyl)pyrrolidin-1-yl]octan-1-one
CID 112748469
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
CID 174408643
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propoxyethanone
CID 114018464
1-[2-(methylsulfonylmethyl)piperidin-1-yl]octan-1-one
CID 126818714

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one?
The IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one (CID 79536446) is 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one?
The canonical SMILES for 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCCCC1CC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one?
The InChIKey is IHTACUKZWNJHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-4-5-6-7-8-12-17(20)18-13-10-9-11-16(18)14-15(2)19/h15-16,19H,3-14H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one?
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one has a molecular weight of 283.46 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one is sourced from PubChem (CID 79536446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).