1-(5-butoxypentyl)piperidin-4-one

C14H27NO2 — CID 18001872

IUPAC1-(5-butoxypentyl)piperidin-4-one
SMILESCCCCOCCCCCN1CCC(=O)CC1
InChIInChI=1S/C14H27NO2/c1-2-3-12-17-13-6-4-5-9-15-10-7-14(16)8-11-15/h2-13H2,1H3
InChIKeyNZEZBDAYDDHDES-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.64
Rot. Bonds9

About 1-(5-butoxypentyl)piperidin-4-one

1-(5-butoxypentyl)piperidin-4-one (PubChem CID 18001872) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(5-butoxypentyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-butoxypentyl)piperidin-4-one
PubChem CID18001872
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(5-butoxypentyl)piperidin-4-one
SMILESCCCCOCCCCCN1CCC(=O)CC1
InChIInChI=1S/C14H27NO2/c1-2-3-12-17-13-6-4-5-9-15-10-7-14(16)8-11-15/h2-13H2,1H3
InChIKeyNZEZBDAYDDHDES-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1-(4-butoxybutyl)piperidin-4-one
CID 70278532
1-(5-propoxypentyl)piperidin-4-one
CID 70277123
1-pentadecylpiperidin-4-one
CID 10267366
butane;1-butylpiperidin-4-one
CID 177152756
N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine
CID 18001674
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
CID 103179796
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
1-octylpiperidin-3-one;1-octylpiperidin-4-one
CID 68829117
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-butylpyrrolidin-3-one
CID 23052762

Frequently Asked Questions

What is the IUPAC name of 1-(5-butoxypentyl)piperidin-4-one?
The IUPAC name of 1-(5-butoxypentyl)piperidin-4-one (CID 18001872) is 1-(5-butoxypentyl)piperidin-4-one.
What is the SMILES notation for 1-(5-butoxypentyl)piperidin-4-one?
The canonical SMILES for 1-(5-butoxypentyl)piperidin-4-one is CCCCOCCCCCN1CCC(=O)CC1.
What is the InChIKey of 1-(5-butoxypentyl)piperidin-4-one?
The InChIKey is NZEZBDAYDDHDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-12-17-13-6-4-5-9-15-10-7-14(16)8-11-15/h2-13H2,1H3.
What are the key properties of 1-(5-butoxypentyl)piperidin-4-one?
1-(5-butoxypentyl)piperidin-4-one has a molecular weight of 241.37 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butoxypentyl)piperidin-4-one is sourced from PubChem (CID 18001872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).